SCHEMBL4464511

SCHEMBL4464511

Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc3n[c][nH]c3c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL3848177 0.88 MAPT (0.44) MAPTKMT2ALMNAHPGDCYP2C9
SCHEMBL3848659 0.85 MEN1 (0.52) MAPTKMT2ALMNAHPGDKDM4E
SCHEMBL4469804 0.85 HTT (0.46) MAPTKMT2AHPGDCYP2C9CYP2C19
SCHEMBL3855951 0.84 NPSR1 (0.48) MAPTKMT2ALMNACYP2C9CYP2C19
SCHEMBL4459109 0.83 RAF1 (0.41) MAPTKMT2ALMNAHPGDCYP2C9
SCHEMBL4462942 0.83 FADS1 (0.49) MAPTKMT2ALMNARAB9ANPC1
SCHEMBL2297881 0.81 RAF1 (0.58) MAPTKMT2ALMNAHPGDCYP2C9
SCHEMBL27901583 0.80 RXFP1 (0.55) —
SCHEMBL3850936 0.80 GPR35 (0.43) MAPTKMT2AHPGDCYP2C9CYP2C19
SCHEMBL3848804 0.80 NPSR1 (0.48) MAPTKMT2ALMNAHPGDKDM4E

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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