SCHEMBL10467005

SCHEMBL10467005

O=C(O)c1ccc(N2OC(c3ccccc3)C(CCl)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
CASP6 P55212 1/20 0.42
HCAR3 P49019 6/20 0.40
KDM4E B2RXH2 2/20 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
APEX1 P27695 1/20 0.38
PRKG1 Q13976 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
SCHEMBL10467473 0.87 KMT2A (0.44) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL9769726 0.68 KMT2A (0.44) KMT2AMEN1CASP6HCAR3KDM4E
SCHEMBL29126952 0.67 CASP6 (0.60) KMT2AMEN1CASP6HCAR3KDM4E
SCHEMBL30657600 0.67 CASP6 (0.60) KMT2AMEN1CASP6HCAR3KDM4E
SCHEMBL9769756 0.66 TSHR (0.48) KMT2AMEN1CASP6HCAR3LMNA
SCHEMBL9769718 0.65 KMT2A (0.43) KMT2AMEN1CASP6HCAR3LMNA
SCHEMBL2292095 0.64 CASP6 (0.64) CASP6HCAR3POLBLMNATSHR
SCHEMBL12292886 0.64 GAA (0.62) KMT2AMEN1CASP6HCAR3LMNA
SCHEMBL2773960 0.64 ALDH1A1 (0.74) KMT2AMEN1KDM4EPOLBLMNA
SCHEMBL31380218 0.64 ALDH1A1 (0.74) KMT2AMEN1KDM4EPOLBLMNA

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-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed