SCHEMBL18049848

SCHEMBL18049848

CC1(CNc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)COC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.62
▸ EGLN1 Q9GZT9 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TRPV1 Q8NER1 3/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 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
SCHEMBL18070992 0.86 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070996 0.80 KDR (0.71) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18048967 0.80 KDR (0.64) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18071042 0.79 KDR (0.69) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18071003 0.78 KDR (0.66) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070965 0.78 KDR (0.68) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18048989 0.78 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18048926 0.78 KDR (0.62) KDREGLN1MEN1MAPTKMT2A
SCHEMBL18070966 0.78 KDR (0.71) KDREGLN1MEN1MAPTKMT2A
SCHEMBL427743 0.77 KDR (1.00) KDRABCB1CITMAP3K7RIPK2

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 3 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-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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