SCHEMBL6178358

SCHEMBL6178358

Cn1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)c1NC(=O)Cc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.46
MAPK14 Q16539 2/20 0.46
ROCK2 O75116 1/20 0.40
NAMPT P43490 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL6176923 0.94 P2RX7 (0.45) P2RX7MAPK14ROCK2NAMPTTRPV1
SCHEMBL6176783 0.93 MAPK14 (0.50) P2RX7MAPK14ROCK2NAMPTTRPV1
SCHEMBL4330915 0.88 MAPK14 (0.48) P2RX7MAPK14NAMPTTRPV1
SCHEMBL6177522 0.87 MAPK14 (0.50) P2RX7MAPK14NAMPT
SCHEMBL6178911 0.87 MAPK14 (0.48) P2RX7MAPK14NAMPT
SCHEMBL6178635 0.87 MAPK14 (0.48) P2RX7MAPK14NAMPT
SCHEMBL6178118 0.86 MAPK14 (0.53) MAPK14NAMPT
SCHEMBL6176304 0.85 MAPK14 (0.46) P2RX7MAPK14TRPV1
SCHEMBL6176462 0.85 MAPK14 (0.46) P2RX7MAPK14NAMPT
SCHEMBL6178427 0.85 MAPK14 (0.51) MAPK14NAMPT

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-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed