SCHEMBL13580394

SCHEMBL13580394

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)cc3-c3ccccc3)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 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
SCHEMBL13580348 0.95 NPC1 (0.34) PTGS2NPC1KMT2AATMGPR35
SCHEMBL13580406 0.89 PTGS2 (0.31) PTGS2
SCHEMBL13580401 0.89 SMN1; SMN2 (0.33) PTGS2NPC1KMT2AATMGPR35
SCHEMBL13580353 0.87 NPC1 (0.33) PTGS2NPC1KMT2AATMGPR35
SCHEMBL13580828 0.87 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580827 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580358 0.86 NPC1 (0.33) PTGS2NPC1KMT2AATMGPR35
SCHEMBL13580397 0.85 CASP3 (0.35) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580378 0.85 NPC1 (0.33) PTGS2NPC1KMT2AATMGPR35
SCHEMBL13580427 0.84 NPC1 (0.34) NPC1KMT2AATMGPR35SMN1; SMN2

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