SCHEMBL16249705

SCHEMBL16249705

CN(C)/C=C/c1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL16249707 0.86 GPR119 (0.46) GPR119CYP2C9MEN1KMT2AGPR174
SCHEMBL16249710 0.83 GPR119 (0.45) GPR119ALDH1A1LMNAMAPT
SCHEMBL30772278 0.73 MAPT (0.49) GPR119ALDH1A1LMNAMAPT
SCHEMBL12465843 0.73 MAPT (0.49) GPR119ALDH1A1LMNAMAPT
SCHEMBL12465844 0.73 MAPT (0.49) GPR119ALDH1A1LMNAMAPT
SCHEMBL8409617 0.73 GPR119 (0.50) GPR119CYP2C9ALDH1A1LMNAMAPT
SCHEMBL16249704 0.72 GPR119 (0.51) GPR119CYP2C9MEN1KMT2A
SCHEMBL13060194 0.72 GPR119 (0.52) GPR119CYP2C9MEN1KMT2ADPP4
SCHEMBL16286344 0.72 MET (0.45) GPR119USP30
SCHEMBL2575424 0.72 MET (0.45) GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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