SCHEMBL9325905

SCHEMBL9325905

O=C(Cc1ccc(O)cc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
POLB P06746 2/20 0.73
EPHX2 P34913 3/20 0.73
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 3/20 0.64
SIGMAR1 Q99720 1/20 0.59
ME3 Q16798 1/20 0.57
EPHX1 P07099 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
KLK1 P06870 1/20 0.53

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
SCHEMBL23130338 0.85 POLB (1.00) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL15652941 0.85 RAB9A (0.73) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL30662307 0.85 SMN1; SMN2 (0.74) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL23686078 0.85 NPC1 (0.73) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL25893862 0.85 RAB9A (0.73) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL5051924 0.84 EPHX2 (1.00) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL3397254 0.84 EPHX2 (1.00) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL19254905 0.83 SMN1; SMN2 (0.72) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL19254904 0.83 NPC1 (0.71) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL5053663 0.83 RAB9A (0.71) NPC1RAB9APOLBEPHX2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP disclosed