SCHEMBL28937142

SCHEMBL28937142

O=C(Nc1cccc(C(=O)O)n1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
RXFP1 Q9HBX9 1/20 0.57
TP53 P04637 1/20 0.53
GRM5 P41594 4/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
SORT1 Q99523 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACMSD Q8TDX5 1/20 0.48

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
SCHEMBL28937146 0.87 KMT2A (0.79) MEN1KMT2AKDM4ELMNARXFP1
SCHEMBL28937135 0.86 RXFP1 (0.78) MEN1KMT2AKDM4ELMNARXFP1
SCHEMBL28937159 0.84 MEN1 (0.60) MEN1KMT2AKDM4ELMNARXFP1
SCHEMBL28937136 0.84 F2 (0.53) MEN1KMT2ARXFP1TP53GRM5
SCHEMBL20177032 0.81 RXFP1 (0.57) MEN1KMT2ALMNARXFP1TP53
SCHEMBL16899070 0.78 SMN1; SMN2 (0.64) MEN1KMT2ALMNARXFP1TP53
SCHEMBL821839 0.76 KMT2A (1.00) MEN1KMT2ARXFP1GRM5CCNA2
SCHEMBL23286796 0.76 KMT2A (0.77) MEN1KMT2ARXFP1GRM5CCNA2
SCHEMBL29738098 0.76 KMT2A (0.77) MEN1KMT2ARXFP1GRM5CCNA2
SCHEMBL2251120 0.75 KDM4E (1.00) MEN1KMT2AKDM4ELMNAGRM5

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-110272425-B Pyridyloxyl octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-11-04 CN disclosed