SCHEMBL18669149

SCHEMBL18669149

Clc1cccc(Cl)c1CNc1ccc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.44
CDK1 P06493 1/20 0.41
IP6K1 Q92551 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CASP6 P55212 1/20 0.40
ADRA2B P18089 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
TP53 P04637 2/20 0.38
THRB P10828 2/20 0.38
PARP1 P09874 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
SCHEMBL2540200 0.80 RAB9A (0.54) QPCTIP6K1NPC1RAB9AMAPT
SCHEMBL2546278 0.80 QPCT (0.46) QPCTCDK1NPC1RAB9AMAPT
SCHEMBL2538625 0.79 IP6K1 (0.63) QPCTIP6K1RAB9AMAPTKDM4E
SCHEMBL18669088 0.79 IP6K1 (0.69) IP6K1ALDH1A1ABL1PARP1
SCHEMBL2543223 0.77 IP6K1 (0.47) QPCTIP6K1NPC1RAB9A
SCHEMBL2544226 0.77 IP6K1 (0.36) QPCTCDK1IP6K1NPC1RAB9A
SCHEMBL18669065 0.76 NPC1 (0.49) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL18126690 0.75 MMP12 (0.41) QPCTIP6K1MAPTKDM4EALDH1A1
SCHEMBL2539436 0.75 MAPT (0.56) QPCTIP6K1MAPTGAAKDM4E
SCHEMBL2546746 0.74 NTRK1 (0.47) QPCTIP6K1HTT

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
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed