SCHEMBL7015221

SCHEMBL7015221

Cc1nc2cc(-c3ccccc3C#N)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 6/20 0.45
CYP3A4 P08684 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MAPK1 P28482 1/20 0.45
ESR2 Q92731 1/20 0.44
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA1 P14867 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRA5 P31644 3/20 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
SCHEMBL7021611 0.89 RAB9A (0.56) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL7014174 0.82 TRPA1 (0.53) TRPA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15156831 0.80 TRPA1 (0.51) TRPA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7019918 0.80 GAA (0.54) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL7014933 0.80 TRPA1 (0.53) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL7018825 0.80 TRPA1 (0.53) TRPA1POLBCYP1A2CYP3A4ALDH1A1
SCHEMBL7020541 0.79 TRPA1 (0.50) TRPA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7019183 0.79 CYP1A2 (0.53) TRPA1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27824979 0.78 ACVR1 (0.47) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL30848146 0.78 SSTR2 (0.43) TRPA1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
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