SCHEMBL18071015

SCHEMBL18071015

N#Cc1cc(NC(=O)c2nccnc2Cl)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.48
▸ SLC22A12 Q96S37 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ KCNE1 P15382 2/20 0.41
▸ KCNQ1 P51787 2/20 0.41
▸ AR P10275 2/20 0.41
▸ TMPRSS4 Q9NRS4 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
SCHEMBL18070887 0.84 GRM4 (0.52) GRM4KDR
SCHEMBL18048984 0.78 KDR (0.45) GRM4KDRAR
SCHEMBL18070904 0.76 LRRK2 (0.36) GRM4LRRK2KDRAR
SCHEMBL18070905 0.76 LRRK2 (0.36) GRM4LRRK2KDRAR
SCHEMBL18048923 0.76 LRRK2 (0.36) GRM4LRRK2KDRAR
SCHEMBL18070920 0.76 MAPT (0.61) KCNQ3KCNQ2KCNE1KCNQ1TMPRSS4
SCHEMBL31448688 0.74 AR (0.56) SLC22A12AR
SCHEMBL27359796 0.74 AR (0.56) SLC22A12AR
SCHEMBL18070880 0.73 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18070914 0.71 MAPK1 (0.56) KDRKCNQ3KCNQ2KCNE1KCNQ1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
Send feedback