SCHEMBL9872034

SCHEMBL9872034

O=c1cc(-c2ccc(Cl)cc2)[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
KDM4E B2RXH2 6/20 0.56
PDE10A Q9Y233 2/20 0.56
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 6/20 0.49
HPGD P15428 6/20 0.49
LMNA P02545 5/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL9872630 0.88 CTSV (0.57) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL9872054 0.86 HPGD (0.56) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL9874994 0.83 KDM4E (0.59) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL9872570 0.82 CYP19A1 (0.46) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL9874829 0.81 HPGD (0.60) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL9872701 0.80 HPGD (0.43) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL9874866 0.76 NPC1 (0.47) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL19032114 0.74 MAPT (0.49) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL9873449 0.74 HPGD (0.50) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL30462938 0.72 KDM4E (1.00) KMT2AKDM4EPDE10AALDH1A1MEN1

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
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed