SCHEMBL30436770

SCHEMBL30436770

COC(=O)c1ccc(-c2ccc(N)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
MAPK1 P28482 3/20 0.46
TLR8 Q9NR97 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL595530 1.00 MAPT (0.51) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL24975195 0.91 MAPK1 (0.54) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL29854270 0.91 MAPK1 (0.54) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL29598250 0.87 MAPK1 (0.61) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL30436940 0.84 GABRG2 (0.53) MAPTRAB9AKDM4ENPC1CA1
SCHEMBL21056008 0.84 CA12 (0.50) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL30436074 0.84 CA12 (0.50) MAPTSMN1; SMN2RXFP1RAB9ATP53
SCHEMBL2030945 0.84 GABRG2 (0.53) MAPTRAB9AKDM4ENPC1CA1
SCHEMBL7942053 0.83 MAPK1 (0.53) MAPTSMN1; SMN2RXFP1KDM4EMAPK1
SCHEMBL31145166 0.83 TDP1 (0.59) MAPTSMN1; SMN2RXFP1RAB9ATP53

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
CN-111630030-B Novel benzamide derivatives as PPAR-gamma modulators 梅迪比奥法尔玛公司 2023-06-20 CN disclosed