SCHEMBL27596454

SCHEMBL27596454

C1=Cc2cc3cc(-c4ccc[nH]4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ IDO1 P14902 2/20 0.30

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
Benzene SCHEMBL28628071 0.78 STAT3 (0.52) STAT3STAT1NPC1RAB9A
SCHEMBL473160 0.78 STAT3 (0.52) STAT3STAT1NPC1RAB9A
SCHEMBL29827170 0.78 STAT3 (0.52) STAT3STAT1NPC1RAB9A
SCHEMBL29834821 0.78 IDO1 (0.36) STAT3STAT1IDO1
SCHEMBL2955029 0.78 IDO1 (0.36) STAT3STAT1IDO1
SCHEMBL11566885 0.77 STAT3 (0.51) STAT3STAT1NPC1RAB9A
SCHEMBL1275380 0.77 STAT3 (0.51) STAT3STAT1NPC1RAB9A
SCHEMBL28381600 0.77 STAT3 (0.51) STAT3STAT1NPC1RAB9A
SCHEMBL31314990 0.77 STAT3 (0.51) STAT3STAT1NPC1RAB9A
SCHEMBL11331093 0.77 STAT3 (0.51) STAT3STAT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1605026-A Electrode for active oxygen species and sensor using the electrode MAKOTO YUASA (JP) 2005-04-06 — — CN claimed
CN-113727966-A Panthenol derivatives and use thereof 彗星医疗股份有限公司 2021-11-30 — — CN disclosed
CN-113727986-A Cyclic panthenol derivative and use thereof 彗星医疗股份有限公司 2021-11-30 — — CN disclosed
CN-1605026-A Electrode for active oxygen species and sensor using the electrode MAKOTO YUASA (JP) 2005-04-06 — — CN disclosed
Send feedback