SCHEMBL4469804

SCHEMBL4469804

O=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ccc2n[c][nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ MAPT P10636 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNK3 O14649 2/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL4459109 0.88 RAF1 (0.41) HTTHPGDKMT2AMEN1MAPT
SCHEMBL3848659 0.88 MEN1 (0.52) HTTNPC1RAB9AHPGDKMT2A
SCHEMBL4462942 0.88 FADS1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL27901583 0.87 RXFP1 (0.55) —
SCHEMBL27919273 0.85 FADS1 (0.51) HTTHPGDKMT2AMEN1MAPT
SCHEMBL4464511 0.85 MAPT (0.44) HTTNPC1RAB9AHPGDKMT2A
SCHEMBL3848177 0.85 MAPT (0.44) HTTNPC1RAB9AHPGDKMT2A
SCHEMBL4473204 0.81 NPC1 (0.41) NPC1RAB9AHPGDKMT2AMAPT
SCHEMBL3857514 0.79 RAF1 (0.38) HTTNPC1RAB9AHPGDKMT2A
SCHEMBL3850936 0.79 GPR35 (0.43) NPC1RAB9AHPGDKMT2AMAPT

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
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