SCHEMBL28064535

SCHEMBL28064535

NC(=O)c1cc2cccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
BCAT2 O15382 1/20 0.46
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
NSD2 O96028 1/20 0.43
DHODH Q02127 2/20 0.42
APEX1 P27695 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
DAO P14920 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL30494484 1.00 HPGD (0.46) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL29053569 0.87 HSD17B10 (0.61) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL24074547 0.87 GRM2 (0.44) HPGDHSD17B10MEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL27899621 0.86 HSD17B10 (0.59) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL28064654 0.85 IKBKB (0.39) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL30494403 0.84 HSD17B10 (0.58) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL29053644 0.84 HSD17B10 (0.58) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL28064557 0.83 HDAC11 (0.47) DHODHIKBKBCCNCCDK8MAPT
SCHEMBL29053575 0.81 HSD17B10 (0.58) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL30494411 0.81 HSD17B10 (0.58) HPGDHSD17B10MEN1USP2ALDH1A1

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
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 CN claimed
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 CN disclosed