SCHEMBL20097402

SCHEMBL20097402

Cc1cc(C(=O)N2CCCC2)ncc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PTK2 Q05397 1/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UHRF1 Q96T88 1/20 0.42
DPP4 P27487 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL17841604 0.84 HPGD (0.55) HPGDTSHRALDH1A1GAAMAPT
SCHEMBL26140049 0.78 HPGD (0.48) HPGDTSHRALDH1A1GAAMAPT
SCHEMBL23948608 0.78 UHRF1 (0.52) TSHRTDP1UHRF1KMT2A
SCHEMBL25958653 0.76 ALDH1A1 (0.42) HPGDTSHRALDH1A1GAAMAPT
SCHEMBL25521952 0.74 UHRF1 (0.52) HPGDTSHRALDH1A1GAAMAPT
SCHEMBL12384971 0.74 UHRF1 (0.52) TSHRALDH1A1MAPTTDP1KDM4E
SCHEMBL25958444 0.74 CNR1 (0.43) HPGDALDH1A1GAAMAPTTDP1
SCHEMBL22738611 0.74 HRH3 (0.57) NPC1RAB9A
SCHEMBL12442637 0.73 HPGD (0.62) HPGDALDH1A1GAAMAPTTDP1
SCHEMBL29944223 0.73 HPGD (0.62) HPGDALDH1A1GAAMAPTTDP1

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
WO-2018075858-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2018-04-26 WO disclosed