SCHEMBL69655

SCHEMBL69655

CC(C)(C)c1ccc(C#N)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.86
EPHX2 P34913 1/20 0.54
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.48
CYP19A1 P11511 2/20 0.47
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
CSNK1D P48730 4/20 0.45
CSNK1G2 P78368 4/20 0.45
CSNK1A1 P48729 1/20 0.45
GSK3B P49841 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3421538 0.93 KIF11 (1.00) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL3420933 0.93 KIF11 (1.00) KIF11EPHX2CYP2A6ALDH1A1TSHR
Tert-Butylbenzene SCHEMBL28366527 0.88 KIF11 (0.69) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL30522130 0.87 KIF11 (0.68) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL15603548 0.87 KIF11 (0.68) KIF11EPHX2CYP2A6ALDH1A1CYP19A1
SCHEMBL15235282 0.87 KIF11 (0.68) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL22853382 0.87 KIF11 (0.68) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL15221633 0.87 KIF11 (0.68) KIF11EPHX2CYP2A6ALDH1A1CYP19A1
SCHEMBL20173630 0.85 KIF11 (0.66) KIF11EPHX2CYP2A6ALDH1A1TSHR
SCHEMBL20149636 0.84 KIF11 (0.64) KIF11EPHX2CYP2A6ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1437 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121735989-B Method for catalyzing hydroboration reaction of nitrile compound WEIFANG UNIVERSITY (CN) 2026-05-26 CN claimed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-119080623-A Application of catalyst in preparation of primary amine by catalyzing nitrile compound hydrogenation 嘉庚创新实验室 2024-12-06 CN claimed
EP-4255947-B1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-07-03 EP claimed
CN-117304223-A Picer ligand rare earth metal catalyst and preparation method and application thereof 安徽师范大学 2023-12-29 CN claimed
EP-4255947-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS Covestro Deutschland AG (DE) 2023-10-11 EP claimed
CN-116529281-A Process for producing thermoplastic polyoxazolidone polymers 科思创德国股份有限公司 2023-08-01 CN claimed
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
CN-110357912-B Application of trisilamide rare earth complex in preparation of amine compound by catalyzing reaction of nitrile and borane 苏州大学 2022-12-20 CN claimed
CN-216987578-U P-tert-butylbenzonitrile ammoniation reaction processing device 河北允升精细化工有限公司 2022-07-19 CN claimed
WO-2022117443-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-06-09 WO claimed
EP-4008736-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS Covestro Deutschland AG (DE) 2022-06-08 EP claimed
CN-214075127-U Rectifying device for producing p-tert-butyl benzonitrile 河北允升精细化工有限公司 2021-08-31 CN claimed
CN-108863894-B Method for directly synthesizing indole from nitrile 中国科学技术大学 2020-08-14 CN claimed
CN-107445862-A A kind of method that p-tert-butyl benzonitrile is efficiently prepared using liquid-phase ammoxidation method 安徽智博新材料科技有限公司 2017-12-08 CN claimed
US-3948968-A COMPLEXING WITH PYRIDINES OR QUINOLINES, REACTION WITH AMMONIA MARATHON OIL COMPANY (US) 1976-04-06 US claimed
CN-121735989-B Method for catalyzing hydroboration reaction of nitrile compound WEIFANG UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
US-4125513-A Thermoplastic compositions containing triazine polymer coated reinforcing agents TEXACO INC. (US) 1978-11-14 US disclosed
US-4100147-A Polymerization of aliphatic nitriles TEXACO INC. (US) 1978-07-11 US disclosed