SCHEMBL9490757

SCHEMBL9490757

CCCCc1nc(C)c(CC)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TYMP P19971 2/20 0.45
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
PKM P14618 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL25778574 0.88 KDM4E (0.55) KDM4EPARP1ALDH1A1TYMPKMT2A
SCHEMBL5935686 0.83 TP53 (0.53) KMT2AHSD17B10MEN1TSHRHTT
SCHEMBL26688859 0.83 LMNA (0.51) KDM4EPARP1ALDH1A1KMT2AHSD17B10
SCHEMBL9487922 0.82 PARP1 (0.51) KDM4EPARP1ALDH1A1TYMPPKM
SCHEMBL1891525 0.79 TSHR (0.43) KDM4EPARP1ALDH1A1KMT2AHSD17B10
SCHEMBL20778195 0.79 MAPK1 (0.63) KDM4EPARP1ALDH1A1KMT2AHSD17B10
SCHEMBL30296207 0.79 MAPK1 (0.43) KDM4EPARP1ALDH1A1KMT2AHSD17B10
SCHEMBL9126278 0.76 PARP1 (0.49) KDM4EPARP1ALDH1A1LMNAHIF1A
Dimethirimol SCHEMBL6908351 0.75 KDM4E (0.52) KDM4EALDH1A1TYMPKMT2AHSD17B10
SCHEMBL20778200 0.74 KDM4E (0.52) KDM4EPARP1ALDH1A1KMT2ATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252574-A Hypotensive agents, vision disorder MERCK & CO., INC. (US) 1993-10-12 US disclosed
US-5175164-A Hypotensive agents MERCK & CO., INC. (US) 1992-12-29 US disclosed
EP-0517357-A1 Angiotensin II antagonists incorporating a substituted indole or dihydroindole MERCK & CO. INC. (US) 1992-12-09 EP disclosed
EP-0512676-A1 Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO. INC. (US) 1992-11-11 EP disclosed
US-5162325-A ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1992-11-10 US disclosed
EP-0510812-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-5100897-A Hypotensive agents, congestive heart failure, ocular hypertension MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0419048-A2 Substituted pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1991-03-27 EP disclosed