SCHEMBL2854412

SCHEMBL2854412

CCCc1c(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OC)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HCRTR1 O43613 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
P2RY12 Q9H244 1/20 0.48
CCKBR P32239 1/20 0.47

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
SCHEMBL2854499 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1MAPT
SCHEMBL2855120 0.79 MAPT (0.51) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL3993086 0.75 ITGB2 (0.65) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL3993084 0.75 ITGB2 (0.65) MEN1KMT2AHCRTR1ALDH1A1MAPT
SCHEMBL27703075 0.75 KMT2A (0.71) MEN1KMT2AHCRTR1MAPTITGB2
SCHEMBL21001595 0.74 KMT2A (0.81) MEN1KMT2AHCRTR1MAPTTHRB
SCHEMBL21001594 0.74 KMT2A (0.81) MEN1KMT2AHCRTR1MAPTTHRB
SCHEMBL31520097 0.74 KMT2A (0.81) MEN1KMT2AHCRTR1MAPTTHRB
SCHEMBL21001593 0.73 KMT2A (0.76) MEN1KMT2AHCRTR1MAPTTHRB
SCHEMBL21001592 0.73 KMT2A (0.76) MEN1KMT2AHCRTR1MAPTTHRB

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed