SCHEMBL3833366

SCHEMBL3833366

COC(=S)c1cc(C)nn1-c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
PHGDH O43175 1/20 0.42
FLT3 P36888 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
NOTUM Q6P988 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 0.38
PLK1 P53350 1/20 0.38
GRM5 P41594 1/20 0.38
MDM2 Q00987 1/20 0.37
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3834635 0.85 F10 (0.53) F10FLT3ALDH1A1TSHRADORA2A
SCHEMBL1680141 0.81 F10 (0.53) F10ALDH1A1TSHRADORA2ANOTUM
SCHEMBL23429155 0.81 F10 (0.53) F10ALDH1A1TSHRKDM4EMAPT
SCHEMBL15428605 0.80 F10 (0.55) F10FLT3ALDH1A1TSHRKDM4E
SCHEMBL3830143 0.80 F10 (0.52) F10ALDH1A1TSHRKDM4EMAPT
Hydrochloric Acid SCHEMBL3830146 0.80 F10 (0.52) F10ALDH1A1TSHRADORA2ANOTUM
SCHEMBL31067538 0.78 KMT2A (0.51) F10ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3833007 0.78 KMT2A (0.51) F10ALDH1A1KDM4EMAPTKMT2A
SCHEMBL18622981 0.77 KDM4E (0.53) F10FLT3ALDH1A1TSHRKDM4E
SCHEMBL3829511 0.74 ALDH1A1 (0.65) F10FLT3ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed