SCHEMBL9470241

SCHEMBL9470241

CCC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SLC6A4 P31645 1/20 0.38
MAPT P10636 6/20 0.38
AR P10275 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
NSD2 O96028 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9469714 0.84 CNR2 (0.43) SLC6A4AR
SCHEMBL22327549 0.84 MCL1 (0.47) MCL1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL29445524 0.83 NPC1 (0.47) SMN1; SMN2MAPK1NPC1RAB9ALMNA
SCHEMBL15457978 0.83 NPC1 (0.47) SMN1; SMN2MAPK1NPC1RAB9ALMNA
SCHEMBL29445525 0.83 NPC1 (0.47) SMN1; SMN2MAPK1NPC1RAB9ALMNA
SCHEMBL19010378 0.83 NPC1 (0.50) SMN1; SMN2MAPK1NPC1RAB9ALMNA
SCHEMBL29716646 0.82 KIF11 (0.42) SMN1; SMN2LMNASLC6A4MAPTAR
SCHEMBL1893774 0.82 KIF11 (0.42) SMN1; SMN2LMNASLC6A4MAPTAR
SCHEMBL19689000 0.81 MAPK1 (0.48) SMN1; SMN2MAPK1NPC1RAB9ALMNA
SCHEMBL19464683 0.79 MCL1 (0.46) MCL1SMN1; SMN2MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145826-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-11 US disclosed
US-20230145826-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-11 US disclosed
EP-4130163-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE Toyo Ink SC Holdings Co., Ltd. (JP) 2023-02-08 EP disclosed
US-RE34480-E Naphthalocyanine compounds YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1993-12-14 US disclosed
EP-0284369-B1 5- OR 6-ALKOXYCARBONYL-2,3-DICYANONAPHTHALENES AND PROCESS FOR PRODUCTION THEREOF Hitachi Chemical Co., Ltd. (JP) 1992-05-20 EP disclosed
US-4833264-A INTERMEDIATES FOR NAPHTHALOCYANINE DYES HITACHI CHEMICAL CO., LTD. (JP) 1989-05-23 US disclosed
EP-0284369-A2 5- or 6-alkoxycarbonyl-2,3-dicyanonaphthalenes and process for production thereof Hitachi Chemical Co., Ltd. (JP) 1988-09-28 EP disclosed
EP-0134518-B1 NAPHTHALOCYANINE COMPOUNDS Yamamoto Chemicals, Inc. (JP) 1988-07-06 EP disclosed
US-4622179-A INFRARED RAYS ABSORBERS YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1986-11-11 US disclosed
EP-0134518-A1 Naphthalocyanine compounds Yamamoto Chemicals, Inc. (JP) 1985-03-20 EP disclosed