SCHEMBL9494091

SCHEMBL9494091

O=C(O)c1ccccc1CNc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.66
KDM4C Q9H3R0 5/20 0.52
NOX4 Q9NPH5 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
FOLH1 Q04609 1/20 0.45
ALDH1A1 P00352 2/20 0.44
JAK2 O60674 2/20 0.44
TYK2 P29597 2/20 0.44
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14830351 0.88 HIF1A (0.81) HIF1AKDM4CNOX4FOLH1ALDH1A1
SCHEMBL27648140 0.79 ALDH1A1 (0.49) HIF1AKDM4CKDM4EKDM6BKDM4A
SCHEMBL3168102 0.79 CHRNB2 (0.49) HIF1AKDM4CNOX4KDM4EKDM6B
SCHEMBL9567555 0.76 HPGD (0.63) HIF1AKDM4CKDM4EKDM6BKDM4A
SCHEMBL30879601 0.75 HIF1A (0.57) HIF1AKDM4EFOLH1ALDH1A1GAA
SCHEMBL17737239 0.75 TSHR (0.67) HIF1AKDM6BFOLH1ALDH1A1GAA
SCHEMBL6119714 0.74 HIF1A (0.61) HIF1AKDM4CNOX4ALDH1A1HTT
SCHEMBL28741561 0.74 HIF1A (0.61) HIF1ANOX4KDM4EALDH1A1
SCHEMBL29373730 0.73 KDR (0.57) KDM4CKDM4EKDM6BFOLH1ALDH1A1
SCHEMBL6779496 0.73 FFAR1 (0.55) ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US claimed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP claimed
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed
US-4309541-A CHEMICAL INTERMEDIATES TO QUINAZOLINE HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4255429-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4000287-A HYPOTENSIVES, ANTIARRHYTHMIC CIBA-GEIGY CORPORATION (US) 1976-12-28 US disclosed