SCHEMBL9136107

SCHEMBL9136107

Cc1cc(=O)c(I)c(C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CA1 P00915 1/20 0.41
ALDH1A1 P00352 5/20 0.41
ADORA1 P30542 2/20 0.41
HPGD P15428 5/20 0.38
LMNA P02545 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LPO P22079 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21341793 0.77 KDM4E (0.43) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL4478455 0.73 HPGD (0.46) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL4771259 0.70 HPGD (0.44) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL22817640 0.70 KDM4E (0.38) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL15459460 0.70 HSD17B10 (0.43) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL28170050 0.70 KDM4E (0.38) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL9455125 0.70 GAA (0.38) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL26967993 0.70 PDE3B (0.40) KDM4EGAACYP1A2CA1ALDH1A1
SCHEMBL3188766 0.69 CYP1A2 (0.45) KDM4EGAACYP1A2ALDH1A1ADORA1
SCHEMBL10686284 0.69 NOTUM (0.45) KDM4EGAACYP1A2CA1ALDH1A1

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-5380730-A Angiotensin antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-10 US disclosed
US-5236936-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
EP-0499416-A2 Pyridine compounds as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 EP disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
CN-1055925-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1991-11-06 CN disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed