SCHEMBL9333422

SCHEMBL9333422

Cc1cc(=O)c(C(=O)O)c(-c2cccc(Cl)c2)n1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
PIN1 Q13526 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAOB P27338 1/20 0.40
PGR P06401 1/20 0.39
COMT P21964 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
GRM5 P41594 1/20 0.38
PKM P14618 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL9331373 0.86 NOTUM (0.39) LMNANPC1RAB9ANOTUMKMO
SCHEMBL9333910 0.86 COMT (0.44) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL9331121 0.85 MAPT (0.43) KDM4ELMNANPC1RAB9AKDM4C
SCHEMBL10463753 0.84 COMT (0.43) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL10600200 0.84 KDM4C (0.42) KDM4CPIN1NOTUMCOMTGRIA2
SCHEMBL9333871 0.84 MDM2 (0.42) MDM2KDM4ELMNAHTTRAB9A
SCHEMBL9330865 0.83 RAB9A (0.46) MDM2KDM4ELMNAHTTNPC1
SCHEMBL9331322 0.82 POLB (0.45) LMNAHTTKDM4CNOTUMKMO
SCHEMBL9331069 0.80 CNR2 (0.43) MDM2
SCHEMBL10597520 0.78 EGLN1 (0.43) MDM2KDM4ELMNAHTTPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364183-B1 Chemical hybridisation of dicots ZENECA LTD (GB) 1994-03-30 EP disclosed
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-0364183-A2 Chemical hybridisation of dicots ZENECA LIMITED (GB) 1990-04-18 EP 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
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 EP disclosed