SCHEMBL21870352

SCHEMBL21870352

O=C(NCCCc1ccccc1)c1ccccc1NC(O)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NLRP1 Q9C000 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 2/20 0.48
NLRP3 Q96P20 1/20 0.48
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45
MLYCD O95822 1/20 0.44

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
SCHEMBL17554123 0.80 NPC1 (0.68) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL21870109 0.78 NPC1 (0.51) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL30560609 0.72 RAB9A (0.81) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL5750828 0.72 RAB9A (0.81) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL2352332 0.72 RAB9A (1.00) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4562581 0.69 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL8636926 0.69 NPC1 (0.70) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL21870107 0.69 RAB9A (0.67) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL17554087 0.68 PPARG (0.76) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL5856836 0.68 HPGD (0.56) NPC1RAB9AHPGDALDH1A1MAPT

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
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed