SCHEMBL5225903

SCHEMBL5225903

C[C@H](N)C(=O)N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
USP2 O75604 1/20 0.55
ESR1 P03372 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
PTPN7 P35236 1/20 0.55
RECQL P46063 1/20 0.55
ESR2 Q92731 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3346163 1.00 HSD17B10 (0.55) HSD17B10KDM4EPOLBTDP1USP2
Ammonia Solution, Strong SCHEMBL6208637 0.99 HSD17B10 (0.54) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL4125092 0.85 HSD17B10 (0.51) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL10352935 0.84 HSD17B10 (0.61) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL5229108 0.84 HSD17B10 (0.40) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3545953 0.82 HSD17B10 (0.55) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL5224313 0.82 HSD17B10 (0.55) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3342782 0.81 HSD17B10 (0.47) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3345261 0.81 POLB (0.47) HSD17B10KDM4EPOLBTDP1USP2
SCHEMBL3340581 0.77 PSEN1 (0.46) HSD17B10KDM4EPOLBTDP1USP2

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-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP claimed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed