SCHEMBL18048978

SCHEMBL18048978

O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1NCC1COC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.63
▸ GRM4 Q14833 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ACLY P53396 1/20 0.43

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
SCHEMBL18048936 0.88 KDR (0.61) KDRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL18070899 0.88 KDR (0.63) KDRGRM4ALDH1A1KDM4EMAPT
SCHEMBL18049021 0.84 KMT2A (0.60) KDRALDH1A1KDM4EMAPTHTT
SCHEMBL18070938 0.83 MEN1 (0.50) KDRALDH1A1KDM4EMAPTHTT
SCHEMBL18048967 0.81 KDR (0.64) KDRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL18049826 0.81 EGLN1 (0.51) KDRALDH1A1KDM4EMAPTHTT
SCHEMBL18070968 0.81 RXFP1 (0.64) KDRALDH1A1KDM4EMAPTHTT
SCHEMBL18070908 0.80 KDR (0.49) KDRGRM4ALDH1A1KDM4EMAPT
SCHEMBL18070935 0.80 KDR (0.48) KDRGRM4ALDH1A1KDM4EMAPT
SCHEMBL18048954 0.79 KDR (0.65) KDRALDH1A1KDM4EMAPTSMN1; SMN2

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

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