SCHEMBL2853373

SCHEMBL2853373

O=C(Nc1cccc([N+](=O)[O-])c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
MAPT P10636 7/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
CNR1 P21554 1/20 0.43
P2RX1 P51575 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 4/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL2850258 0.88 MAPT (0.51) MAPTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL2852565 0.86 MAPT (0.42) MAPTRAB9ANPC1NPSR1MEN1
SCHEMBL2854572 0.86 RAB9A (0.44) MAPTRAB9ANPC1NPSR1MEN1
SCHEMBL2854221 0.86 MAPT (0.51) MAPTNPSR1MEN1KMT2AP2RX1
SCHEMBL2856514 0.85 CCR1 (0.49) ACHEMAPTRAB9ANPC1NPSR1
SCHEMBL2853258 0.85 NPY5R (0.45) MAPTRAB9ANPC1NPSR1MEN1
SCHEMBL2853385 0.85 MAPT (0.42) ACHEMAPTNPSR1MEN1KMT2A
SCHEMBL2852360 0.85 MAPT (0.42) ACHEMAPTNPSR1MEN1KMT2A
SCHEMBL2848615 0.85 MAPT (0.44) MAPTNPC1NPSR1MEN1KMT2A
SCHEMBL2848317 0.84 MAPT (0.46) ACHEMAPTNPC1NPSR1MEN1

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 claimed