SCHEMBL18048947

SCHEMBL18048947

N#Cc1cc(NC(=O)c2cccnc2NCC2CCC(O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CRHR1 P34998 3/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ BDKRB1 P46663 2/20 0.43
▸ BRAF P15056 2/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ VNN1 O95497 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 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
SCHEMBL18070979 1.00 KDR (0.53) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18070983 0.86 EGLN1 (0.52) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18049010 0.86 EGLN1 (0.52) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18070971 0.84 KDR (0.63) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18070919 0.84 KDR (0.63) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18048948 0.84 KDR (0.63) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18048951 0.84 EGLN1 (0.50) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL18070981 0.84 EGLN1 (0.50) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL18070947 0.84 KDR (0.54) KDRRXFP1LMNAMEN1KMT2A
SCHEMBL18048940 0.84 KDR (0.54) KDRRXFP1LMNAMEN1KMT2A

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 claimed
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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