SCHEMBL9779336

SCHEMBL9779336

Cc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
CD274 Q9NZQ7 1/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 1/20 0.54
HPGDS O60760 2/20 0.54
MMP12 P39900 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM5B Q9UGL1 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52

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
SCHEMBL9779368 0.93 HPGD (0.54) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779547 0.91 HPGD (0.53) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779270 0.91 HTT (0.54) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779424 0.91 HPGD (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779400 0.90 TSHR (0.54) HPGDKDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9779490 0.89 PDE2A (0.55) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779512 0.89 TDP1 (0.54) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779272 0.89 RXFP1 (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779369 0.89 ALDH1A1 (0.51) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL9779377 0.89 LMNA (0.58) HPGDKDM4EALDH1A1KMT2AMEN1

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-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed