SCHEMBL9733928

SCHEMBL9733928

NC(=O)c1n[nH]c(Cc2c(F)cccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
CA5A P35218 1/20 0.39
RIPK1 Q13546 4/20 0.39
CD38 P28907 3/20 0.38
MPO P05164 1/20 0.37
KLKB1 P03952 3/20 0.37
ALPL P05186 1/20 0.36
MAPK8 P45983 1/20 0.35
PARP1 P09874 1/20 0.34
GRK6 P43250 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDC7 O00311 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL29757105 0.84 RIPK1 (0.49) ARRIPK1MPO
SCHEMBL24193617 0.82 RIPK1 (0.45) ARRIPK1CD38KLKB1CYP3A4
SCHEMBL29757046 0.79 HCAR2 (0.50) RIPK1MPOKLKB1PARP1CDC7
SCHEMBL24193842 0.78 ALPL (0.48) RIPK1KLKB1ALPL
SCHEMBL23085471 0.77 NR1H2 (0.53) RIPK1KLKB1ALPL
SCHEMBL29757084 0.76 RIPK1 (0.44) RIPK1MPOALPLMAPK8
SCHEMBL15964866 0.73 CA5A (0.43) ARCA5ACD38MPOMAPK8
SCHEMBL9734415 0.72 LMNA (0.44) ARCD38MPOCYP3A4
SCHEMBL30035399 0.72 AR (0.46) ARRIPK1CD38PARP1CYP3A4
SCHEMBL25760819 0.72 ALPL (0.43) RIPK1KLKB1ALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 US claimed
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-5045556-A Aralkyl-4H-1,2,4-triazole derivatives CIBA-GEIGY CORPORATION (US) 1991-09-03 US disclosed