SCHEMBL17447296

SCHEMBL17447296

COC(=O)NCc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.58
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL9664850 0.87 KCNA5 (0.52) NPC1RAB9AALDH1A1HTTTSHR
SCHEMBL6331300 0.85 NPC1 (0.62) NPC1RAB9AALDH1A1HTTTSHR
SCHEMBL26147436 0.83 NPC1 (0.60) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL17442696 0.83 HIF1A (0.57) NPC1RAB9A
SCHEMBL1433979 0.81 NPC1 (0.72) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL5769261 0.81 NPC1 (0.71) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL754896 0.81 TSHR (0.55) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL30858769 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL2749188 0.80 ALDH1A1 (0.66) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL31504505 0.80 TAAR1 (0.49) NPC1RAB9AHTTHPGD

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-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 WO disclosed