SCHEMBL11080352

SCHEMBL11080352

Oc1c[c]c(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
ALOX5 P09917 3/20 0.38
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLIN1 O60240 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
NTSR1 P30989 1/20 0.33
PLIN5 Q00G26 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL358844 0.88 ESR1 (0.40) MAPK1ALOX5MEN1MAPTKMT2A
SCHEMBL7058842 0.78 BCL2L1 (0.48) ALOX5MEN1MAPTKMT2AESR1
SCHEMBL5344839 0.75 CYP1A2 (0.34) MAPK1MEN1MAPTKMT2ACYP1A2
SCHEMBL1022492 0.71 ESR1 (0.69) MAPK1ALOX5MEN1MAPTKMT2A
SCHEMBL28089684 0.71 NPC1 (0.41) MAPTKMT2AKDM4EHSD17B10TSHR
SCHEMBL28526146 0.71 ALDH1A1 (0.34) MAPK1MEN1MAPTKMT2ACYP1A2
SCHEMBL358041 0.71 NOTUM (0.34) TSHR
SCHEMBL358614 0.70 CYP1A2 (0.48) MAPK1MEN1MAPTKMT2ACYP1A2
SCHEMBL11066303 0.68 DRD1 (0.39) MEN1MAPTKMT2ALMNAALDH1A1
Parachlorophenol SCHEMBL28864 0.68

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
EP-0113213-A2 Pyrazoline insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1984-07-11 EP disclosed