SCHEMBL10463604

SCHEMBL10463604

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
PPP1CA P62136 2/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
RPA1 P27694 2/20 0.40
AHR P35869 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
DHODH Q02127 2/20 0.39

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
SCHEMBL10462719 0.99 MAP4K4 (0.42) MAP4K4SMN1; SMN2PPP1CANPC1RAB9A
SCHEMBL10463696 0.86 HPGD (0.51) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL10462718 0.86 DHODH (0.39) MAP4K4SMN1; SMN2PPP1CAMAPTKDM4E
SCHEMBL10463383 0.85 USP2 (0.42) MAP4K4SMN1; SMN2PPP1CANPC1RAB9A
SCHEMBL10596774 0.85 ABCB1 (0.40) SMN1; SMN2NPC1RAB9ANOTUMKDM4E
SCHEMBL10460461 0.85 MEN1 (0.38) L3MBTL1HPGDDHODHMEN1GAA
SCHEMBL10460246 0.85 HPGD (0.50) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL10597520 0.85 EGLN1 (0.43) MAPTNOTUMKDM4ELMNAHPGD
SCHEMBL10462369 0.84 USP2 (0.41) MAP4K4SMN1; SMN2PPP1CANPC1RAB9A
SCHEMBL10460282 0.84 MEN1 (0.37) L3MBTL1HPGDDHODHMEN1GAA

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 5 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
EP-0127313-B1 THE PRODUCTION OF HAPLOID SEED, OF DOUBLED HAPLOIDS AND OF HOMOZYGOUS PLANT LINES THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-07-19 EP disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0127313-A1 The production of haploid seed, of doubled haploids and of homozygous plant lines therefrom CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1984-12-05 EP disclosed