SCHEMBL14976333

SCHEMBL14976333

Clc1cc[c]c(-c2ncccc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MMP14 P50281 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
SLC6A2 P23975 2/20 0.38
OPRK1 P41145 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15B O15296 1/20 0.38
NR1I2 O75469 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
SCHEMBL14976505 0.76 NPC1 (0.38) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL11564440 0.76 TP53 (0.36) TDP1ALDH1A1TP53CYP3A4CYP1A2
SCHEMBL14976960 0.74 CNR2 (0.37) RORBMEN1KMT2ATDP1DPP4
SCHEMBL8969966 0.74 CCR1 (0.50) MAPTTDP1KDM4EALDH1A1LMNA
SCHEMBL2319463 0.73 PDE2A (0.41) KMT2ANR4A2L3MBTL1
SCHEMBL15637294 0.72 CNR2 (0.39) RORBDPP4CNR2S100A4CDC25B
SCHEMBL15067608 0.72 TP53 (0.35) TDP1ALDH1A1LMNATP53CYP3A4
SCHEMBL2306238 0.72 DPP4 (0.48) RORBMEN1MAPTKMT2ATDP1
SCHEMBL27868401 0.71 CCR1 (0.44) MEN1MAPTKMT2ATDP1KDM4E
SCHEMBL6682355 0.71 CYP2A6 (0.40) MEN1MAPTKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782565-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
WO-2013076230-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO disclosed