SCHEMBL10460461

SCHEMBL10460461

Cc1c(C(=O)O)c(=O)cc(-c2ccc(Br)cc2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
CNKSR1 Q969H4 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALAD P13716 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SMPD1 P17405 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
ACVR1 Q04771 1/20 0.35
DHODH Q02127 1/20 0.35
APAF1 O14727 1/20 0.35
SMAD3 P84022 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
SCHEMBL10460282 0.99 MEN1 (0.37) MEN1KMT2AL3MBTL1HPGDMCL1
SCHEMBL10463696 0.86 HPGD (0.51) MEN1KMT2AHPGDATM
SCHEMBL10460280 0.86 DHODH (0.39) MEN1KMT2AHPGDCNKSR1SMPD1
SCHEMBL10463604 0.85 MAP4K4 (0.43) MEN1KMT2AL3MBTL1HPGDGAA
SCHEMBL10596774 0.85 ABCB1 (0.40) MEN1KMT2AL3MBTL1HPGDKDM5A
SCHEMBL10460246 0.85 HPGD (0.50) MEN1KMT2AHPGDATM
SCHEMBL10462719 0.84 MAP4K4 (0.42) MEN1KMT2AL3MBTL1HPGDGAA
SCHEMBL10600220 0.82 NPC1 (0.43) KDM4CGAADHODHPTGS2
Hydrochloric Acid SCHEMBL10463630 0.81 SMAD3 (0.51) MEN1KMT2AL3MBTL1GAAAPAF1
SCHEMBL10462939 0.78 ALDH1A1 (0.41) MEN1KMT2AL3MBTL1HPGDCNKSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed