SCHEMBL9586141

SCHEMBL9586141

CCOC(=O)c1nocc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM6 O15303 1/20 0.46
ALOX5 P09917 3/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 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
SCHEMBL2305862 0.86 ELANE (0.44) MAPTALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4368170 0.84 MAPT (0.52) MAPTALDH1A1NPSR1KDM4ECDC7
SCHEMBL892693 0.82 TARBP2 (0.52) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL16697480 0.80 GPBAR1 (0.55) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL17499989 0.80 PTGS1 (0.47) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL9585857 0.80 TARBP2 (0.56) MAPTALDH1A1HPGDKDM4ETSHR
SCHEMBL6726462 0.78 KMT2A (0.45) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL9586903 0.78 L3MBTL1 (0.50) MAPTALDH1A1L3MBTL1ALOX5TP53
SCHEMBL9585915 0.76 HSD17B10 (0.43) MAPTALDH1A1HPGDNPSR1TSHR
Phenylacetylene SCHEMBL1704028 0.76 TARBP2 (0.44) MAPTALDH1A1HPGDNPSR1KDM4E

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-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed