SCHEMBL10366553

SCHEMBL10366553

CCOC(=O)CC(=O)CSc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HSD17B10 Q99714 7/20 0.48
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 3/20 0.47
CASP1 P29466 3/20 0.47
MAPK1 P28482 3/20 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
SCHEMBL9751601 0.84 HSD17B10 (0.59) MEN1KMT2AALDH1A1MAPTHDAC3
SCHEMBL6421307 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTHDAC3
SCHEMBL7429124 0.82 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1MAPTHDAC3
SCHEMBL28571148 0.82 HSD17B10 (0.55) MEN1KMT2AALDH1A1MAPTHDAC3
SCHEMBL1722192 0.82 MEN1 (0.54) NCOA1NCOA3MEN1KMT2AALDH1A1
SCHEMBL19630686 0.81 KMT2A (0.58) MEN1KMT2AALDH1A1MAPTHDAC3
SCHEMBL25740966 0.77 LMNA (0.54) KMT2AALDH1A1MAPTHSD17B10HPGD
SCHEMBL1617976 0.76 CYP19A1 (0.49) KMT2AALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL7900139 0.75 LMNA (0.79) NCOA1NCOA3MEN1KMT2AALDH1A1
SCHEMBL7410135 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHDAC3

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-0206747-B1 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS, AND A PROCESS FOR PRODUCING THE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-10-31 EP disclosed
EP-0206747-A2 1,4-Dihydropyridine derivatives useful in the treatment of cardiovascular disorders, and a process for producing the derivatives WARNER-LAMBERT COMPANY (US) 1986-12-30 EP disclosed