SCHEMBL2787178

SCHEMBL2787178

O=C(NSc1ccc(C(F)(F)F)cc1)Nc1noc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.55
TP53 P04637 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 1/20 0.45
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 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
SCHEMBL2783672 0.88 TP53 (0.48) EPHX2TP53SMN1; SMN2MAPTKIT
SCHEMBL2787195 0.87 TP53 (0.63) EPHX2TP53SMN1; SMN2MAPTFAAH
SCHEMBL2785316 0.86 TP53 (0.52) EPHX2TP53SMN1; SMN2MAPTFAAH
SCHEMBL2784409 0.84 EPHX2 (0.46) EPHX2MAPT
SCHEMBL2785329 0.81 HIF1A (0.53) EPHX2TP53SMN1; SMN2MAPTFAAH
SCHEMBL2784837 0.81 EPHX2 (0.52) EPHX2TP53SMN1; SMN2MAPTKIT
SCHEMBL2786425 0.81 HIF1A (0.46) EPHX2TP53SMN1; SMN2MAPTPOLB
SCHEMBL2787670 0.79 TP53 (0.50) TP53SMN1; SMN2MAPTFAAH
SCHEMBL2784847 0.79 HCRTR1 (0.43) EPHX2TP53SMN1; SMN2MAPT
SCHEMBL2784404 0.78 TP53 (0.55) EPHX2TP53SMN1; SMN2MAPTFAAH

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed