SCHEMBL8911595

SCHEMBL8911595

CCCCCc1nc2ccc(-c3ccccc3C#N)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TRPA1 O75762 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
PPARG P37231 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HPGD P15428 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
SCHEMBL8911589 0.91 TRPA1 (0.48) POLBTRPA1PPARGALDH1A1CYP1A2
SCHEMBL9101302 0.82 TRPA1 (0.50) POLBTRPA1KMT2AMAPTKDM4E
SCHEMBL7020545 0.81 ALDH1A1 (0.48) POLBTRPA1KMT2AMAPTKDM4E
SCHEMBL7021611 0.77 RAB9A (0.56) POLBTRPA1KMT2AMAPTPKM
SCHEMBL30823858 0.74 POLB (0.83) POLBALDH1A1
SCHEMBL170803 0.74 POLB (0.83) POLBALDH1A1
SCHEMBL4253889 0.73 HSD17B10 (0.58) KDM4EL3MBTL1PPARGALDH1A1CYP3A4
SCHEMBL9721050 0.73 KMT2A (0.82) POLBKMT2AMAPTPKMKDM4E
SCHEMBL2948425 0.72 POLB (0.80) POLBALDH1A1
SCHEMBL21074081 0.72 POLB (0.80) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed