SCHEMBL9662172

SCHEMBL9662172

Cc1cc(C)cc(NC(=O)C(=O)N2CCCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 5/20 0.60
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.51
AR P10275 1/20 0.47

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
SCHEMBL4405065 0.83 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NPC1GAALMNA
SCHEMBL12139525 0.83 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NPC1GAALMNA
Hydrochloric Acid SCHEMBL28953557 0.81 RAB9A (0.69) RAB9ASMN1; SMN2NPC1GAALMNA
SCHEMBL12139494 0.77 RAB9A (0.97) RAB9ASMN1; SMN2NPC1GAALMNA
SCHEMBL9662649 0.76 PRMT5 (0.75) GAALMNAHPGDNPSR1ALDH1A1
SCHEMBL17667029 0.75 PARP1 (0.55) RAB9ANPC1GAALMNAKMT2A
SCHEMBL17667033 0.75 PARP1 (0.55) RAB9ANPC1GAALMNAKMT2A
SCHEMBL17667030 0.73 PARP1 (0.56) RAB9ANPC1GAALMNAKMT2A
SCHEMBL9663389 0.73 PRMT5 (0.56) RAB9ANPC1GAALMNAKMT2A
SCHEMBL17667032 0.73 PARP1 (0.56) RAB9ANPC1GAALMNAKMT2A

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
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US claimed