SCHEMBL8095006

SCHEMBL8095006

N#Cc1ccccc1-c1ccc(CNc2c(NCc3ccccc3)cc[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKCQ Q04759 2/20 0.41
PRKACA P17612 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL8702070 0.77 JAK2 (0.37) HSD17B10JAK2JAK1
SCHEMBL20183521 0.74 HSD17B10 (0.53) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL9479014 0.72 ALDH1A1 (0.40) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL8953484 0.69 MYC (0.38) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL7435402 0.69 ESR2 (0.56) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL6696407 0.69 HSD17B10 (0.50) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL9034499 0.69 BDKRB1 (0.46) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL12497420 0.68 APP (0.54) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL10061705 0.68 ESR2 (0.54) HSD17B10TSHRKDM4EHPGDALDH1A1
SCHEMBL3475619 0.67 KDM4E (1.00) HSD17B10TSHRKDM4EHPGDALDH1A1

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-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed