SCHEMBL13580859

SCHEMBL13580859

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(O)c3)cc2O)C=C(C(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ APP P05067 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13580329 0.85 KMT2A (0.39) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580321 0.84 NPC1 (0.36) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580312 0.84 NPC1 (0.36) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580357 0.81 SMN1; SMN2 (0.36) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580421 0.81 SMN1; SMN2 (0.36) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580393 0.80 KMT2A (0.38) KMT2ANPC1ATMGPR35SMN1; SMN2
SCHEMBL13580390 0.79 KMT2A (0.35) KMT2ANPC1ATMGPR35KDM4E
SCHEMBL13580366 0.79 NPC1 (0.33) KMT2ANPC1ATMGPR35MEN1
SCHEMBL13580377 0.79 NPC1 (0.33) KMT2ANPC1ATMGPR35
SCHEMBL13580387 0.78 NPC1 (0.32) KMT2ANPC1ATMGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
Send feedback