SCHEMBL18070970

SCHEMBL18070970

CN(C)Cc1ccc(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.77
▸ PDPK1 O15530 1/20 0.53
▸ FLT1 P17948 1/20 0.52
▸ LSS P48449 1/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL18048949 0.88 KDR (0.84) KDRPDPK1FLT1ABCB1MEN1
SCHEMBL18049824 0.88 KDR (0.84) KDRPDPK1FLT1ABCB1
SCHEMBL15528901 0.87 KDR (0.87) KDRABCB1MEN1ALDH1A1LMNA
SCHEMBL427743 0.87 KDR (1.00) KDRFLT1ABCB1
SCHEMBL18049837 0.86 KDR (0.77) KDRPDPK1FLT1MEN1ALDH1A1
SCHEMBL6103635 0.83 KDR (0.80) KDRPDPK1FLT1MEN1ALDH1A1
SCHEMBL18070995 0.81 KDR (0.62) KDRPDPK1FLT1MEN1ALDH1A1
SCHEMBL18073539 0.81 KDR (0.76) KDRPDPK1MEN1ALDH1A1LMNA
SCHEMBL426512 0.81 KDR (0.86) KDRFLT1ABCB1
SCHEMBL6104460 0.81 KDR (0.69) KDRPDPK1FLT1ABCB1MEN1

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
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