SCHEMBL2854489

SCHEMBL2854489

O=C(Nc1ccc(C(F)(F)F)cn1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
SCN9A Q15858 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
F10 P00742 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
DEGS1 O15121 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.38
NR3C1 P04150 1/20 0.38
GPR6 P46095 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL2854992 0.93 L3MBTL1 (0.43) RAB9ANPC1MAPTGPR6
SCHEMBL2853065 0.86 NR3C1 (0.46) RAB9ANPC1MAPTGAACNR1
SCHEMBL2853088 0.85 NR3C1 (0.41) SCN9ARAB9ANPC1F10MAPT
SCHEMBL2852924 0.84 SMN1; SMN2 (0.46) MAPTGAAPOLB
SCHEMBL2852244 0.84 MAPT (0.48) MAPTGAAPOLBNR3C1GPR6
SCHEMBL2860795 0.84 KMT2A (0.46) RAB9ANPC1MAPTPOLBGPR6
SCHEMBL2856901 0.83 MAPT (0.40) RAB9ANPC1MAPTGPR6
SCHEMBL2860522 0.83 MAPT (0.48) RAB9ANPC1MAPTTRPV1
SCHEMBL2857550 0.83 TMPRSS4 (0.45) RAB9ANPC1MAPTGPR6
SCHEMBL2854626 0.82 MAPT (0.40) RAB9ANPC1MAPTPOLBGPR6

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