SCHEMBL16249707

SCHEMBL16249707

Cc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.46
CYP2C9 P11712 1/20 0.46
GPR174 Q9BXC1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL16249705 0.86 GPR119 (0.43) GPR119CYP2C9GPR174ALDH1A1MAPT
SCHEMBL16249703 0.81 GPR119 (0.47) GPR119ALDH1A1MAPTMEN1KMT2A
SCHEMBL16249704 0.79 GPR119 (0.51) GPR119CYP2C9MEN1KMT2A
SCHEMBL8409617 0.77 GPR119 (0.50) GPR119CYP2C9ALDH1A1MAPT
SCHEMBL16249706 0.77 GPR119 (0.46) GPR119CYP2C9MEN1KMT2A
SCHEMBL13060194 0.77 GPR119 (0.52) GPR119CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL16249708 0.76 MAPT (0.36) CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL1463154 0.75 MAPT (0.43) GPR119GPR174ALDH1A1MAPTSMN1; SMN2
SCHEMBL1463152 0.75 MAPT (0.45) GPR119GPR174ALDH1A1MAPTSMN1; SMN2
SCHEMBL11164437 0.74 USP30 (0.47) GPR119ALDH1A1MAPTMEN1KMT2A

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-2670749-B1 NEW AZAINDOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed