SCHEMBL9756296

SCHEMBL9756296

O=C(O)Cc1[nH]c2cccc(Cl)c2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.50
AKR1B1 P15121 1/20 0.49
PLA2G2A P14555 1/20 0.44
PBRM1 Q86U86 1/20 0.43
MET P08581 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
MCL1 Q07820 3/20 0.40
CXCL8 P10145 2/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL7126488 0.77 AKR1B1 (0.58) GPR17AKR1B1PBRM1METERCC5
SCHEMBL9250840 0.77 KDM4E (0.53) METKMT2AKDM4EMEN1ALDH1A1
SCHEMBL28732562 0.77 GPR17 (0.40) GPR17AKR1B1GRIN2DGRIN3BGRIN1
SCHEMBL9038402 0.75 GPR17 (0.61) GPR17PBRM1ERCC5FEN1GRIN2D
SCHEMBL31332450 0.75 GPR17 (0.61) GPR17PBRM1ERCC5FEN1GRIN2D
SCHEMBL9272732 0.73 GPR17 (0.60) GPR17PBRM1ERCC5FEN1GRIN2D
SCHEMBL29580629 0.71 ALDH1A1 (0.69) GPR17AKR1B1GRIN2DGRIN3BGRIN1
SCHEMBL30064109 0.71 PLA2G2A (0.57) GPR17AKR1B1PLA2G2AGRIN2DGRIN3B
SCHEMBL154385 0.71 ALDH1A1 (0.69) GPR17AKR1B1GRIN2DGRIN3BGRIN1
SCHEMBL6171799 0.71 GPR17 (0.56) GPR17AKR1B1PBRM1GRIN1MCL1

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
JP-1052754-A None JP disclosed
EP-0256128-B1 INDOLEACETIC ACID DERIVATIVES AND USE THEREOF AS PLANT GROWTH REGULATORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed
JP-S6452754-A DICHLOROINDOLINEACETIC ACID DERIVATIVE AND PRODUCTION THEREOF NIPPON KAYAKU KK 1989-02-28 JP disclosed