SCHEMBL2853232

SCHEMBL2853232

O=C(NCc1ccccc1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPV1 Q8NER1 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DHODH Q02127 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2880130 0.91 MAPK1 (0.54) MAPK1MAPTTRPV1NPC1RAB9A
SCHEMBL2850439 0.90 KMT2A (0.53) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL2856146 0.90 CNR1 (0.53) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL2855846 0.88 CNR1 (0.55) CCR1MAPTMEN1KMT2AALDH1A1
SCHEMBL2860283 0.86 KDM4E (0.45) CCR1MAPTALDH1A1TRPV1NPC1
SCHEMBL2858063 0.85 MAPT (0.57) CCR1MAPTALDH1A1TRPV1NPC1
SCHEMBL2854169 0.84 MAPT (0.56) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2880891 0.84 CNR1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2857827 0.84 MEN1 (0.55) CCR1MAPK1MAPTMEN1KMT2A
SCHEMBL2854345 0.84 MAPT (0.43) CCR1MAPTALDH1A1TRPV1NPC1

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