SCHEMBL27887159

SCHEMBL27887159

O=C(Nc1c[c]ccc1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.64
▸ PARP15 Q460N3 4/20 0.50
▸ PARP10 Q53GL7 4/20 0.50
▸ PARP2 Q9UGN5 2/20 0.50
▸ GPR35 Q9HC97 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5465598 0.78 RAB9A (0.64) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL22192683 0.77 PARP15 (0.65) NR1H4PARP15PARP10PARP2NPC1
SCHEMBL7016979 0.77 PTGIR (0.58) NPC1RAB9ASMN1; SMN2
SCHEMBL28487939 0.76 CYP11B1 (0.59) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5468876 0.74 TRPV1 (0.60) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL5468404 0.74 NQO2 (0.54) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL750529 0.74 KCNK3 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28488053 0.73 MEN1 (0.63) NPC1RAB9AMEN1KMT2A
SCHEMBL26985992 0.73 NPC1 (0.61) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL26986027 0.73 CYP11B1 (0.55) NPC1RAB9ALMNASMN1; SMN2MEN1

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
CN-105254623-A SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE 2016-01-20 — — CN disclosed
CN-102686563-A Substituted benzamide derivatives HOFFMANN LA ROCHE 2012-09-19 — — CN disclosed
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