SCHEMBL11548282

SCHEMBL11548282

COc1ccc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.90
NPC1 O15118 10/20 0.90
SMN1; SMN2 Q16637 4/20 0.75
TP53 P04637 1/20 0.75
ALOX15 P16050 1/20 0.75
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
CASP3 P42574 2/20 0.73
SENP7 Q9BQF6 2/20 0.73
SENP8 Q96LD8 1/20 0.73
SENP6 Q9GZR1 1/20 0.73
KCNK9 Q9NPC2 1/20 0.70
PGR P06401 2/20 0.68
HTT P42858 1/20 0.67
EGFR P00533 1/20 0.65
ERBB3 P21860 1/20 0.65
PTGS2 P35354 1/20 0.65
NLRP3 Q96P20 1/20 0.63
GSK3B P49841 1/20 0.63
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL4963650 0.95 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL29693066 0.93 RAB9A (0.97) RAB9ANPC1SMN1; SMN2TP53ALOX15
Iodide SCHEMBL30758596 0.93 RAB9A (0.97) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.92 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.92 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
Nitrogen SCHEMBL28090858 0.90 RAB9A (0.90) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5340339 0.89 RAB9A (0.88) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2919439 0.88 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL28185905 0.88 RAB9A (0.85) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL31179828 0.86 KCNK9 (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15

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
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed