SCHEMBL10418651

SCHEMBL10418651

FC(F)c1cccc(-n2ccc(Nc3cccnc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ GRIN1 Q05586 9/20 0.38
▸ GRIN2B Q13224 9/20 0.38
▸ RXRA P19793 8/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ELOVL1 Q9BW60 2/20 0.37
▸ CFTR P13569 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MARK3 P27448 2/20 0.35
▸ MARK4 Q96L34 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KDR P35968 1/20 0.34

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
SCHEMBL10417635 0.81 KIF11 (0.60) KIF11KDM4E
SCHEMBL10417304 0.75 LMNA (0.45) ABCB11HDAC6ELOVL1PIM1KDM4E
SCHEMBL28733754 0.74 KIF11 (0.50) KIF11ABCB11HDAC6
SCHEMBL15885350 0.68 NAMPT (0.43) KIF11PIM1
SCHEMBL10417180 0.67 ABCB11 (0.74) ABCB11HDAC6ELOVL1KDM4E
SCHEMBL31013382 0.67 KIF11 (0.47) KIF11
SCHEMBL10417591 0.67 ABCB11 (0.71) ABCB11HDAC6ELOVL1KDM4E
SCHEMBL10417190 0.66 ALDH1A1 (0.55) ABCB11HDAC6ELOVL1
SCHEMBL10371527 0.66 ADRA2A (0.35) KIF11ABCB11HDAC6PIM1KDR
SCHEMBL1505919 0.65 ABCB11 (0.60) ABCB11HDAC6ELOVL1KDM4E

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-0178035-B1 ANTI-INFLAMMATORY 1,N-DIARYLPYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1990-01-03 — — EP claimed
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