SCHEMBL9211442

SCHEMBL9211442

COC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.51
POLB P06746 1/20 0.49
GRIK1 P39086 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12686165 0.84 POLB (0.49) KMT2AALDH1A1KDM4EHPGDTSHR
SCHEMBL8784255 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8783960 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8784047 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8785078 0.81 MEN1 (0.63) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8153325 0.80 MEN1 (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL15646869 0.80 HSD17B10 (0.54) KMT2AALDH1A1KDM4EHPGDTSHR
SCHEMBL19512023 0.79 MEN1 (0.60) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9098209 0.79 MEN1 (0.52) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8784073 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB

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
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed