SCHEMBL9087437

SCHEMBL9087437

COC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL9086781 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL9087027 0.82 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL23301285 0.82 PDGFRB (0.45) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL13467989 0.82 PDGFRB (0.45) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL30543368 0.82 PDGFRB (0.45) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL13851053 0.81 LMNA (0.50) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL9087431 0.80 PKM (0.46) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL9089876 0.78 LMNA (0.40) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL23301412 0.78 PDGFRB (0.41) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL23925436 0.77 MEN1 (0.52) ALDH1A1MAPTMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523311-A CARBONYLOXY OR THIOCARBONYL-BENZO-1,2,3-THIADIAZOLE DERIVATIVES USED AS CHEMICAL ACTIVATOR TO STIMULATE PLANTS CAPACITY TO DEFEND ITSELF AGAINST MICROBIAL INFECTIONS CIBA-GEIGY CORPORATION (US) 1996-06-04 US disclosed
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed