SCHEMBL18070947

SCHEMBL18070947

O=C(Nc1cncc(C(F)(F)F)c1)c1cccnc1NC[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CRHR1 P34998 6/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ GSK3A P49840 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42

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
SCHEMBL18048940 1.00 KDR (0.54) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070919 0.88 KDR (0.63) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070971 0.88 KDR (0.63) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18048948 0.88 KDR (0.63) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070941 0.85 KDR (0.52) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18048990 0.85 KDR (0.52) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070948 0.85 KDR (0.52) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18048947 0.84 KDR (0.53) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070979 0.84 KDR (0.53) KDRRXFP1MEN1KMT2ALMNA
SCHEMBL18070986 0.83 KDR (0.48) KDRRXFP1MEN1KMT2ALMNA

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 1 patent. 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
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