SCHEMBL7439474

SCHEMBL7439474

CCOC(=O)c1c[nH]c(C)c(-c2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.60
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.46
PRKCZ Q05513 1/20 0.46
CLEC4M Q9H2X3 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 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
SCHEMBL9979815 0.91 AR (0.64) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL2659125 0.86 MAPT (0.56) ARMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7433705 0.83 GABRA1 (0.58) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL1559220 0.83 CLEC4M (0.49) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2658810 0.83 TP53 (0.50) MAPTMEN1KMT2ARAB9ACLEC4M
SCHEMBL7434700 0.82 CLEC4M (0.54) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL2658889 0.81 JAK2 (0.54) MAPTGAASMN1; SMN2MEN1HTT
SCHEMBL276059 0.80 AR (0.56) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL276472 0.80 MAPT (0.58) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL276917 0.80 AR (0.59) ARMAPTGAASMN1; SMN2MEN1

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-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed