SCHEMBL18049021

SCHEMBL18049021

O=C(Nc1ccc(F)cc1)c1cccnc1NCC1COC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ PDPK1 O15530 2/20 0.52
▸ KDR P35968 7/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DHODH Q02127 1/20 0.45

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 0.89 KDR (0.61) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18048967 0.88 KDR (0.64) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18070938 0.88 MEN1 (0.50) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18049826 0.86 EGLN1 (0.51) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18049845 0.86 KDR (0.48) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18048954 0.86 KDR (0.65) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18070935 0.84 KDR (0.48) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL18048978 0.84 KDR (0.63) KMT2AKDM4EMAPTMEN1KDR
SCHEMBL18070899 0.82 KDR (0.63) KMT2AKDM4EMAPTMEN1L3MBTL1
SCHEMBL18070968 0.81 RXFP1 (0.64) KMT2AKDM4EMAPTMEN1L3MBTL1

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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