SCHEMBL9769726

SCHEMBL9769726

O=C(O)c1ccc(-n2oc(-c3ccccc3)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
HCAR3 P49019 5/20 0.43
CASP6 P55212 1/20 0.42
ALOX5 P09917 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL9769756 0.84 TSHR (0.48) KMT2AMEN1HCAR3CASP6LMNA
SCHEMBL9769718 0.82 KMT2A (0.43) KMT2AMEN1HCAR3CASP6LMNA
SCHEMBL10467005 0.68 KMT2A (0.44) KMT2AMEN1HCAR3CASP6KDM4E
SCHEMBL4720311 0.67 MAPT (0.63) KMT2AMEN1CASP6ALOX5KDM4E
SCHEMBL30657600 0.67 CASP6 (0.60) KMT2AMEN1HCAR3CASP6KDM4E
SCHEMBL29126952 0.67 CASP6 (0.60) KMT2AMEN1HCAR3CASP6KDM4E
SCHEMBL2292095 0.67 CASP6 (0.64) HCAR3CASP6POLBLMNATSHR
SCHEMBL99918 0.67 CASP6 (0.64) HCAR3CASP6POLBLMNATSHR
SCHEMBL9585913 0.66 KMT2A (0.47) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL12292886 0.64 GAA (0.62) KMT2AMEN1HCAR3CASP6LMNA

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed