SCHEMBL18070938

SCHEMBL18070938

O=C(Nc1ccc(CO)cc1)c1cccnc1NCC1COC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDR P35968 12/20 0.49
▸ GAA P10253 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ RET P07949 1/20 0.43
▸ MAP3K20 Q9NYL2 1/20 0.43
▸ RIPK3 Q9Y572 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) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18049021 0.88 KMT2A (0.60) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18048967 0.85 KDR (0.64) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18049826 0.85 EGLN1 (0.51) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18070935 0.83 KDR (0.48) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18048978 0.83 KDR (0.63) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18048954 0.83 KDR (0.65) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18070908 0.81 KDR (0.49) MEN1MAPTKMT2AKDM4EABCB1
SCHEMBL18070899 0.81 KDR (0.63) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL18049845 0.81 KDR (0.48) MEN1MAPTKMT2AKDM4EABCB1

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-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
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