SCHEMBL2854299

SCHEMBL2854299

Cc1ccc(CNC(=O)Cc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.60
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
CYP3A4 P08684 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL14297335 0.89 POLB (0.78) POLBMAPTKMT2AMEN1CYP3A4
SCHEMBL10572999 0.88 POLB (0.77) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2854488 0.86 ALDH1A1 (0.64) POLBKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL10573098 0.84 KMT2A (0.57) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2856152 0.80 POLB (0.57) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6015559 0.80 TAS1R3 (0.63) MAPTKMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL10578507 0.79 L3MBTL1 (0.51) POLBMAPTKMT2AMEN1CYP3A4
SCHEMBL31380220 0.79 SRC (0.69) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5032696 0.79 POLB (0.58) POLBKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14363065 0.79 KMT2A (0.85) POLBMAPTKMT2AMEN1SMN1; SMN2

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