SCHEMBL9489658

SCHEMBL9489658

CCOC(=O)Cn1c(=O)sc2c([N+](=O)[O-])cc(C)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MITF O75030 2/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11110740 0.79 MEN1 (0.42) RXFP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10366017 0.78 SMN1; SMN2 (0.41) RXFP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11105233 0.77 POLB (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9735326 0.74 PLK1 (0.44) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL11102992 0.68 POLB (0.49) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9741534 0.68 POLB (0.38) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL11102330 0.68 APOBEC3A (0.53) RXFP1ALDH1A1NPSR1MAPTGSK3A
SCHEMBL4616232 0.67 TDP1 (0.67) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL7231594 0.67 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7802413 0.67 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2290863-A None JP disclosed
US-5183898-A Chemical intermediate for fungicide BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
US-5093345-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
JP-H02290863-A NITRO-SUBSTITUTED BENZOTHIAZOLONE, THEIR PRODUCTION AND THEIR USE AS HARMFUL ORGANISM CONTROL AGENT AND NOVEL INTERMEDIATE BAYER AG 1990-11-30 JP disclosed
EP-0391186-A1 Nitro substituted benzotiazolones, process for their production and their use as pesticides and new intermediates BAYER AG (DE) 1990-10-10 EP disclosed