SCHEMBL8950333

SCHEMBL8950333

CC(C)Nc1ccc(Cl)cc1[N+](=O)[O-].CC(C)n1c(=O)[nH]c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
HCAR3 P49019 1/20 0.43
PGR P06401 4/20 0.42
MDM2 Q00987 4/20 0.41
POLB P06746 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL8950204 0.83 ABCB1 (0.41) MAPTTHRBHCAR3PGRPOLB
SCHEMBL8950320 0.83 PGR (0.50) MAPTPGRPOLB
SCHEMBL7371675 0.80 MAPT (0.67) MAPTTHRBPGRMDM2POLB
SCHEMBL7369772 0.80 HCAR3 (0.61) MAPTHCAR3POLBL3MBTL1MEN1
SCHEMBL7371356 0.73 PGR (0.51) MAPTPGRPOLBMEN1KMT2A
SCHEMBL8775999 0.73 CA12 (0.51) PGRPOLBTDP1
SCHEMBL25403172 0.72 PGR (0.63) PGRPOLBMEN1KMT2AALDH1A1
SCHEMBL8950072 0.72 ALDH1A1 (0.46) MAPTHCAR3PGRPOLBL3MBTL1
SCHEMBL17846944 0.70 L3MBTL1 (0.54) MAPTHCAR3POLBL3MBTL1MEN1
SCHEMBL2976885 0.69 MAPT (0.58) MAPTHCAR3POLBL3MBTL1ALDH1A1

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-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed