SCHEMBL9737994

SCHEMBL9737994

O=C(O)c1cccc(N2C(=O)C(c3ccccc3)CC23CC(c2ccccc2)C(=O)N3c2cccc(C(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
POLB P06746 4/20 0.46
BLM P54132 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL9766388 0.84 MEN1 (0.58) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL11405716 0.68 QPCT (0.52) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL22904470 0.67 KMT2A (0.56) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL32688379 0.66 ALDH1A1 (0.80) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL9240440 0.65 L3MBTL1 (1.00) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL14338607 0.64 ALDH1A1 (0.59) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL20053775 0.64 ALDH1A1 (0.66) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL14879987 0.63 ALDH1A1 (0.65) L3MBTL1KMT2AMEN1POLBBLM
SCHEMBL30281285 0.63 KMO (0.54) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3653503 0.63 KMO (0.54) L3MBTL1KMT2AMEN1POLBBLM

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-5112938-A CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-05-12 US disclosed
US-5037948-A Cyano- and carboxy-substituted spirodilactams SHELL OIL COMPANY (US) 1991-08-06 US disclosed