SCHEMBL8657117

SCHEMBL8657117

COc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
LMNA P02545 4/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX12 P18054 1/20 0.56
TP53 P04637 3/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA13 Q8N1Q1 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPT P10636 3/20 0.55

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
SCHEMBL7776284 0.91 MEN1 (0.66) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL795861 0.91 ALDH1A1 (0.64) HSD17B10NPC1RAB9AKMT2AALDH1A1
SCHEMBL8659568 0.90 HSD17B10 (0.65) HSD17B10NPC1RAB9ALMNAMEN1
SCHEMBL7774810 0.90 HSD17B10 (0.67) HSD17B10NPC1RAB9ALMNAMEN1
SCHEMBL8659346 0.90 HSD17B10 (0.67) HSD17B10NPC1RAB9ALMNAMEN1
SCHEMBL7770073 0.89 HSD17B10 (0.57) HSD17B10NPC1RAB9ALMNAMEN1
SCHEMBL5187356 0.88 CA12 (0.70) HSD17B10NPC1RAB9ALMNAMEN1
SCHEMBL7776317 0.86 MEN1 (0.60) RAB9ALMNAMEN1KMT2AALDH1A1
SCHEMBL7774521 0.86 LMNA (0.74) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL7647250 0.86 LMNA (0.74) NPC1RAB9ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699662-B1 Novel urea (thiourea) derivative and thermal recording sheet using same JUJO PAPER CO LTD (JP) 1998-10-21 EP disclosed
US-5661100-A HAVING HIGH SENSITIVITY, SUPERIOR THERMAL RESISTANCE, WATER RESISTANCE, OIL RESISTANCE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1997-08-26 US disclosed
EP-0699662-A1 Novel urea (thiourea) derivative and thermal recording sheet using same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-03-06 EP disclosed