SCHEMBL28633396

SCHEMBL28633396

CC(C)N(c1ccccc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 6/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALOX12 P18054 5/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 5/20 0.53
CYP3A4 P08684 4/20 0.53
ALOX15 P16050 3/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 2/20 0.52

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
SCHEMBL17753338 0.86 HPGD (0.53) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL16748394 0.85 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL11476066 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL13094028 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AHTTLMNA
Isopropyldiphenylamine SCHEMBL2119054 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHTTLMNA
Isopropyldiphenylamine SCHEMBL27697074 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHTTLMNA
Isopropyldiphenylamine SCHEMBL2119060 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL16961896 0.82 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL11302543 0.82 TDP1 (0.59) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL27315349 0.82 GAA (0.48) ALDH1A1MAPTKMT2AHTTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402791-B Nitrile rubber-based vulcanized composition, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2022-09-20 CN claimed
CN-113493577-A Vulcanized composition based on nitrile rubber and butadiene rubber, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-10-12 CN claimed
CN-113493579-A Composition for rubber sealing material, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-10-12 CN claimed
CN-113493578-A Rubber composition based on ethylene propylene diene monomer and nitrile rubber, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-10-12 CN claimed
CN-113493580-A Styrene butadiene rubber-based rubber composition, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-10-12 CN claimed
CN-113402791-A Nitrile rubber-based vulcanized composition, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-09-17 CN claimed
CN-113402790-A Composition based on butyl rubber and nitrile rubber, vulcanized rubber, and preparation method and application thereof 中国石油化工股份有限公司 2021-09-17 CN claimed
CN-113698558-A Butylbenzene copolymer and preparation method and application thereof 中国石油化工股份有限公司 2021-11-26 CN disclosed