SCHEMBL5846697

SCHEMBL5846697

O=C(CN1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
RAB9A P51151 2/20 0.77
GSK3B P49841 3/20 0.54
GSK3A P49840 2/20 0.54
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.46
S1PR2 O95136 1/20 0.46
SRD5A2 P31213 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
STAT1 P42224 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18825267 0.93 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AGSK3BGSK3AKMT2A
SCHEMBL18825263 0.79 RAB9A (0.66) SMN1; SMN2RAB9AGSK3BKMT2AALDH1A1
SCHEMBL18825265 0.79 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AGSK3BKMT2AALDH1A1
SCHEMBL18825258 0.78 SMN1; SMN2 (0.63) SMN1; SMN2RAB9AKMT2AALDH1A1KDM4E
SCHEMBL12640291 0.75 RAB9A (0.60) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL18825272 0.75 NPC1 (0.64) SMN1; SMN2RAB9AGSK3BKMT2AALDH1A1
SCHEMBL18825274 0.74 RAB9A (0.59) SMN1; SMN2RAB9AGSK3B
SCHEMBL18825271 0.74 TSHR (0.60) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL26744028 0.74 RAB9A (0.59) SMN1; SMN2RAB9AGSK3BGSK3AKMT2A
SCHEMBL17336171 0.74 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AGSK3BGSK3AKMT2A

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-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed