SCHEMBL18048990

SCHEMBL18048990

O=C(Nc1cncc(C(F)(F)F)c1)c1cccnc1NCC1CCCC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.52
▸ LMNA P02545 3/20 0.48
▸ RXFP1 Q9HBX9 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41

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
SCHEMBL18070941 1.00 KDR (0.52) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18070948 1.00 KDR (0.52) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18070876 0.88 KDR (0.61) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18048924 0.88 KDR (0.61) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18070928 0.88 KDR (0.61) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18070945 0.86 SCN10A (0.43) KDRMAPTSCN10A
SCHEMBL18070942 0.86 SCN10A (0.43) KDRMAPTSCN10A
SCHEMBL18070882 0.86 KDR (0.61) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18070885 0.86 KDR (0.61) KDRLMNARXFP1MEN1KMT2A
SCHEMBL18048930 0.86 KDR (0.61) KDRLMNARXFP1MEN1KMT2A

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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