SCHEMBL7234307

SCHEMBL7234307

CCOC(=O)c1cc(C)nn1Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
ENPP1 P22413 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ELANE P08246 1/20 0.44
P2RY14 Q15391 1/20 0.43
SLC34A1 Q06495 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7231587 0.87 SMN1; SMN2 (0.54) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL7829135 0.86 SMN1; SMN2 (0.66) MAPTTDP1SMN1; SMN2LMNAPOLB
SCHEMBL7240050 0.85 P2RY14 (0.52) MAPTTDP1POLBNPSR1RAB9A
SCHEMBL2336029 0.85 MAPT (0.59) MAPTTDP1SMN1; SMN2LMNAPOLB
SCHEMBL4006702 0.83 SMN1; SMN2 (0.74) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL30028627 0.82 MAPT (0.68) MAPTTDP1SMN1; SMN2POLBNPSR1
SCHEMBL3228828 0.80 SLC34A1 (0.49) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL27689325 0.79 SMN1; SMN2 (0.47) MAPTTDP1SMN1; SMN2POLBRAB9A
SCHEMBL6188814 0.78 MAPT (0.52) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL7236646 0.77 SMN1; SMN2 (0.53) MAPTTDP1SMN1; SMN2TSHRLMNA

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
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