SCHEMBL8925772

SCHEMBL8925772

CNC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RPA1 P27694 1/20 0.52
KDM1A O60341 12/20 0.49
SMPD1 P17405 2/20 0.47

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
SCHEMBL8641975 0.88 RPA1 (0.67) MEN1KMT2ARPA1KDM1A
SCHEMBL3870127 0.87 RPA1 (0.52) RPA1KDM1A
SCHEMBL8925672 0.84 MALT1 (0.60) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL8922991 0.82 CA9 (0.56) RPA1KDM1A
SCHEMBL7462301 0.75 PTGS2 (0.65) RPA1
SCHEMBL7461307 0.75 PTGS2 (0.67)
SCHEMBL20837670 0.75 KDM1A (0.63) RPA1KDM1ASMPD1
SCHEMBL22892054 0.75 SMN1; SMN2 (0.71) MEN1KMT2ARPA1KDM1ASMPD1
SCHEMBL16797389 0.75 SMN1; SMN2 (0.71) MEN1KMT2ARPA1KDM1ASMPD1
SCHEMBL16797379 0.74 KDM1A (0.60) RPA1KDM1ASMPD1

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
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed