SCHEMBL6975927

SCHEMBL6975927

CNC(=O)CCN(C(=O)c1cc(Cl)cc(OC)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL6961808 0.89 HSD17B10 (0.43) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL6970185 0.88 F2 (0.43) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL7239408 0.76 DDR1 (0.41) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL6977417 0.72 ALDH1A1 (0.39) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL28131235 0.71 PLK1 (0.55) MEN1ALDH1A1KMT2AHPGDLMNA
SCHEMBL11216152 0.71 L3MBTL1 (0.41) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL11407386 0.69 HSD17B10 (0.48) HSD17B10MEN1ALDH1A1KMT2AUSP2
SCHEMBL2236310 0.68 DDR1 (0.44) HSD17B10ALDH1A1HPGDGAADDR1
SCHEMBL27915406 0.68 DDR1 (0.46) MEN1ALDH1A1KMT2AHPGDPOLB
SCHEMBL3908308 0.67 CA1 (0.52) HSD17B10MEN1ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 — — EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 — — US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 — — EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 — — WO disclosed
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