SCHEMBL6725286

SCHEMBL6725286

NCc1ccccc1/C=C/F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.41
DPP4 P27487 2/20 0.39
TAAR1 Q96RJ0 1/20 0.35
NFE2L2 Q16236 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AOC3 Q16853 2/20 0.32
MAOB P27338 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL28160107 0.80 PNMT (0.43) PNMTDPP4TAAR1LOXL2PTGER4
SCHEMBL27629319 0.78 PNMT (0.46) PNMTDPP4TAAR1NFE2L2LOXL2
SCHEMBL7959778 0.78 PNMT (0.41) PNMTDPP4TAAR1LOXL2PTGER4
SCHEMBL18193098 0.78 PNMT (0.41) PNMTDPP4TAAR1LOXL2PTGER4
SCHEMBL7959776 0.78 PNMT (0.41) PNMTDPP4TAAR1LOXL2PTGER4
SCHEMBL20124829 0.77 NFE2L2 (0.50) PNMTDPP4NFE2L2PTGER4PTGER3
SCHEMBL1248288 0.77 NFE2L2 (0.50) PNMTDPP4NFE2L2PTGER4PTGER3
SCHEMBL27969283 0.77 NFE2L2 (0.50) PNMTDPP4NFE2L2PTGER4PTGER3
SCHEMBL8105276 0.75 CDK4 (0.52) PNMTDPP4PTGER4PTGER3PTGER2
SCHEMBL27876010 0.75 PNMT (0.39) PNMTDPP4LOXL2PTGER4PTGER3

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
US-6677269-B2 USING SOLID HYDROGEN FLUORIDE-EQUIVALENT CATALYSTS COMPRISING SOLID POLYMERIC ONIUM POLYHYDROGEN FLUORIDE COMPLEXES OLAH GEORGE A (US) 2004-01-13 US claimed