SCHEMBL6972136

SCHEMBL6972136

CC(C)(C)c1nc2c[c]ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.36
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL693161 0.77 SMN1; SMN2 (0.47)
SCHEMBL108180 0.75 CASR (0.58) CASRTNFNOD1
SCHEMBL16912957 0.74 CASR (0.40) CASR
SCHEMBL6092113 0.73 KMT2A (0.37)
SCHEMBL3391407 0.73 RAB9A (0.43)
SCHEMBL18230244 0.73 KDM4E (0.30)
SCHEMBL18230453 0.73 HTT (0.47)
SCHEMBL6967203 0.73 NPC1 (0.53)
SCHEMBL18230188 0.73 LDHA (0.41)
SCHEMBL2705764 0.71 RAB9A (0.45) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed