SCHEMBL13580427

SCHEMBL13580427

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3cccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c3)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA12 O43570 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 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
SCHEMBL13580408 0.95 NPC1 (0.37) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580310 0.89 ATM (0.38) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580451 0.88 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580438 0.87 SMN1; SMN2 (0.32) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL18877737 0.85 KMT2A (0.38) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580394 0.84 PTGS2 (0.35) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580397 0.84 CASP3 (0.35) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL21179846 0.84 SMN1; SMN2 (0.40) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13986184 0.84 SMN1; SMN2 (0.40) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580435 0.83 SMN1; SMN2 (0.36) 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
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