SCHEMBL18722116

SCHEMBL18722116

N#Cc1c(F)cc(CCC2CCCCC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PARP14 Q460N5 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PDGFRB P09619 1/20 0.35

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
SCHEMBL9630101 0.84 TRPV4 (0.37) TRPV4KDM4EALDH1A1HPGDCTSS
SCHEMBL9630094 0.84 TRPV4 (0.37) TRPV4KDM4EALDH1A1HPGDCTSS
SCHEMBL15043539 0.84 TRPV4 (0.37) TRPV4CTSSCTSKMAOBMAOA
SCHEMBL9260065 0.81 DAO (0.44) DAOPARP14PDGFRBPDGFRAMAOB
SCHEMBL9631070 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3
SCHEMBL9630172 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3
SCHEMBL9630169 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3
SCHEMBL9061364 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3
SCHEMBL9061373 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3
SCHEMBL9061356 0.81 TRPV4 (0.34) TRPV4MAOBMAOAHRH3

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-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
Send feedback