SCHEMBL18488030

SCHEMBL18488030

CC(C)c1nc(C(N)=O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ PIM1 P11309 1/20 0.38
▸ NNMT P40261 1/20 0.37
▸ GRM2 Q14416 6/20 0.36
▸ SCN9A Q15858 4/20 0.35
▸ FPR2 P25090 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APP P05067 2/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ LMNA P02545 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
SCHEMBL19913924 0.84 KDM4E (0.42) SYKKCNH2KMT2ALMNA
SCHEMBL18488029 0.83 SYK (0.36) SYKKCNH2PIM1NNMTGRM2
SCHEMBL18449467 0.80 PIM1 (0.34) SYKKCNH2PIM1NNMTGRM2
SCHEMBL12569462 0.80 PIM1 (0.39) PIM1NNMTSCN9AFPR2KMT2A
SCHEMBL19768940 0.79 LMNA (0.41) PIM1NNMTGRM2KMT2ALMNA
SCHEMBL2827339 0.76 TGFBR1 (0.42) SYKKCNH2PIM1NNMTGRM2
SCHEMBL29502454 0.76 TGFBR1 (0.42) SYKKCNH2PIM1NNMTGRM2
SCHEMBL24959363 0.75 APP (0.43) PIM1NNMTGRM2SCN9AFPR2
SCHEMBL18451003 0.75 TACR3 (0.35) SYKKCNH2GRM2
SCHEMBL31228792 0.72 PIM1 (0.41) PIM1NNMTGRM2SCN9AKMT2A

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-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
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