SCHEMBL8957960

SCHEMBL8957960

Cc1cc(N)cc(C)c1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 6/20 0.40
HSD17B10 Q99714 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2966615 0.83 RAB9A (0.42) KCNH2KDM4EALDH1A1NPC1RAB9A
SCHEMBL1133289 0.83 MGAM (0.47) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL7812161 0.79 RAB9A (0.41) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL10914821 0.77 ALDH1A1 (0.43) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL6136944 0.77 ADORA2A (0.41) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL6371894 0.76 CD44 (0.45) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL26259597 0.75 ACHE (0.42) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL20837438 0.73 HSD17B10 (0.48) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL7891948 0.72 KCNH2 (0.59) KCNH2KDM4EALDH1A1NPC1HSD17B10
SCHEMBL15928739 0.72 KCNH2 (0.59) KCNH2KDM4EALDH1A1NPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed