SCHEMBL13749330

SCHEMBL13749330

CNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 6/20 0.44
▸ GIPR P48546 3/20 0.44
▸ USP5 P45974 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ CNR1 P21554 1/20 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
SCHEMBL2255802 0.91 MEN1 (0.48) GCGRGIPRUSP5ALDH1A1MEN1
SCHEMBL2251590 0.90 KMT2A (0.48) GCGRGIPRALDH1A1MEN1KMT2A
SCHEMBL2667291 0.89 GCGR (0.59) GCGRGIPRUSP5CYP2C9
SCHEMBL13748634 0.85 GCGR (0.46) GCGRGIPRALDH1A1MEN1KMT2A
SCHEMBL2667296 0.85 GCGR (0.57) GCGRGIPRALDH1A1
SCHEMBL2253874 0.85 GCGR (0.42) GCGRGIPRUSP5ALDH1A1MEN1
SCHEMBL13003304 0.84 GCGR (0.53) GCGRGIPRUSP5CYP2C9
SCHEMBL12360426 0.82 GCGR (0.59) GCGRGIPRUSP5CYP2C9
SCHEMBL13748622 0.81 GCGR (0.47) GCGRGIPRCYP2C9
SCHEMBL2667300 0.81 GCGR (0.58) GCGRGIPRUSP5CYP2C9TGM2

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
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
Send feedback