SCHEMBL2880130

SCHEMBL2880130

O=C(NCc1ccncc1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
NAMPT P43490 6/20 0.54
HTT P42858 1/20 0.53
TRPV1 Q8NER1 3/20 0.47
ABCB1 P08183 1/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2853232 0.91 CCR1 (0.48) MAPK1TRPV1MAPTNPC1RAB9A
SCHEMBL2850439 0.89 KMT2A (0.53) MAPK1NAMPTABCB1NPC1RAB9A
SCHEMBL2858063 0.84 MAPT (0.57) TRPV1MAPTNPC1RAB9ANPSR1
SCHEMBL2880891 0.83 CNR1 (0.54) HTTMAPTNPC1RAB9ANPSR1
SCHEMBL2857827 0.83 MEN1 (0.55) MAPK1HTTTRPV1MAPTNPC1
SCHEMBL2849968 0.81 KMT2A (0.58) MAPK1HTTTRPV1MAPTRAB9A
SCHEMBL2854401 0.81 RAB9A (0.46) HTTTRPV1MAPTNPC1RAB9A
SCHEMBL2860283 0.81 KDM4E (0.45) TRPV1MAPTNPC1RAB9ANPSR1
SCHEMBL2856146 0.80 CNR1 (0.53) MAPK1ABCB1MAPTNPC1RAB9A
SCHEMBL2854322 0.80 ABCB1 (0.45) MAPK1NAMPTABCB1MAPT

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