SCHEMBL8998889

SCHEMBL8998889

Cc1ccc(C(O)(c2ccccc2)C(C)C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ KIF11 P52732 9/20 0.40
▸ KCNA5 P22460 2/20 0.39
▸ TTR P02766 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL5189952 0.79 KIF11 (0.47) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL9204405 0.78 TSHR (0.46) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL9204391 0.78 TSHR (0.46) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL16219565 0.76 MEN1 (0.42) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL15306844 0.76 MEN1 (0.42) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL14544187 0.74 CYP2C9 (0.39) ALDH1A1CYP2D6MEN1KMT2AKIF11
SCHEMBL2862802 0.73 MEN1 (0.50) ALDH1A1MEN1KMT2AKIF11SMN1; SMN2
SCHEMBL11475050 0.73 CYP19A1 (0.57) ALDH1A1MEN1KMT2AKIF11SMN1; SMN2
SCHEMBL7768882 0.73 MEN1 (0.50) ALDH1A1MEN1KMT2AKIF11SMN1; SMN2
SCHEMBL813126 0.73 CYP19A1 (0.57) ALDH1A1MEN1KMT2AKIF11SMN1; SMN2

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-5554624-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS J. URIACH & CIA. (ES) 1996-09-10 — — US disclosed
EP-0669333-A1 New imidazopyridine derivatives as angiotensin II antagonists J. URIACH & CIA. S.A. (ES) 1995-08-30 — — EP disclosed
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