SCHEMBL2850439

SCHEMBL2850439

O=C(NCc1cccnc1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NAMPT P43490 3/20 0.53
MEN1 O00255 1/20 0.52
ABCB1 P08183 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.49
DHODH Q02127 1/20 0.49
SHMT2 P34897 1/20 0.48
RAB9A P51151 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
SCHEMBL2853232 0.90 CCR1 (0.48) KMT2AMEN1NPC1MAPK1DHODH
SCHEMBL2880130 0.89 MAPK1 (0.54) NAMPTABCB1NPC1MAPK1RAB9A
SCHEMBL2854455 0.83 KMT2A (0.50) KMT2AMEN1ABCB1MAPK1DHODH
SCHEMBL2856146 0.82 CNR1 (0.53) KMT2AMEN1ABCB1NPC1MAPK1
SCHEMBL2859025 0.82 NAMPT (0.44) KMT2ANAMPTMEN1ABCB1NPC1
SCHEMBL2858063 0.82 MAPT (0.57) NPC1RAB9A
SCHEMBL2854852 0.82 ABCB1 (0.49) KMT2ANAMPTMEN1ABCB1DHODH
SCHEMBL2880891 0.81 CNR1 (0.54) KMT2AMEN1NPC1RAB9A
SCHEMBL2857827 0.80 MEN1 (0.55) KMT2AMEN1NPC1MAPK1RAB9A
SCHEMBL2854457 0.80 CYP3A4 (0.43) KMT2AMEN1NPC1RAB9A

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