SCHEMBL7553256

SCHEMBL7553256

Cc1occc1C(=O)c1ccnc(N)c1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
NAMPT P43490 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7543322 0.87 KMT2A (0.41) RAB9ASMN1; SMN2NPC1PKML3MBTL1
SCHEMBL7551330 0.82 NAMPT (0.36) RAB9ASMN1; SMN2NPC1PKML3MBTL1
SCHEMBL7548395 0.79 ALOX5 (0.38) RAB9ASMN1; SMN2NPC1PKML3MBTL1
SCHEMBL7548471 0.79 MAPK13 (0.41) ALDH1A1
SCHEMBL7545898 0.77 NAMPT (0.36) RAB9ANPC1ALDH1A1NAMPTMAPK1
SCHEMBL9060466 0.77 NOS3 (0.40) RAB9ANPC1ALDH1A1MAPK1ESR2
SCHEMBL7549213 0.76 L3MBTL1 (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1
SCHEMBL7553486 0.75 ALDH1A1 (0.37) ALDH1A1ESR2LMNA
SCHEMBL7550244 0.75 MAPK14 (0.35) RAB9ASMN1; SMN2NPC1POLBLMNA
SCHEMBL28474528 0.74 MAPK1 (0.55) RAB9ASMN1; SMN2NPC1PKMALDH1A1

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
WO-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed