SCHEMBL9877808

SCHEMBL9877808

NC(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1cccc(CC=O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
HTT P42858 3/20 0.43
IDO1 P14902 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
HTR2A P28223 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41

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
SCHEMBL6559779 0.83 RAB9A (0.56) RAB9AHTTIDO1MAPTNPSR1
SCHEMBL9877810 0.76 CYP19A1 (0.49) RAB9AHTTMAPT
SCHEMBL9877393 0.74 RAB9A (0.49) RAB9AHTTIDO1MAPTNPSR1
SCHEMBL11520952 0.73 RAB9A (0.48) RAB9AHTTIDO1MAPTNPSR1
SCHEMBL11520946 0.72 RAB9A (0.44) RAB9AHTTIDO1MAPTNPSR1
SCHEMBL9670638 0.72 IDO1 (0.56) RAB9AHTTIDO1MAOBHTR2A
SCHEMBL10885468 0.72 RAB9A (0.59) RAB9AHTTIDO1MAPTNPSR1
SCHEMBL27847543 0.72 SLC7A5 (0.45) IDO1MAPTNPSR1ITGA4ITGB7
SCHEMBL7737719 0.72 RAB9A (0.55) RAB9AIDO1NPC1ITGA4ITGB7
SCHEMBL11144069 0.71 RAB9A (0.52) RAB9AHTTIDO1MAPTNPSR1

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-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed