SCHEMBL7320966

SCHEMBL7320966

CC(=C(C#N)C#N)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRB2 P47870 1/20 0.46
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA1 P00915 1/20 0.40
HMGB1 P09429 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL27613454 0.78 KMT2A (0.54) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL6835178 0.78 GABRA1 (0.62) KMT2AGABRA1GABRB1GABRG2GABRB3
SCHEMBL29061079 0.78 GABRA1 (0.44) KMT2ANPC1MEN1GABRA1GABRB1
SCHEMBL10517797 0.77 HPGD (0.46) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL29119392 0.76 HPGD (0.47) KMT2ANPC1MEN1GABRA1GABRG2
SCHEMBL2046630 0.75 KMT2A (0.56) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL7308873 0.75 CTSD (0.43) KMT2ANPC1MEN1GABRA1GABRB1
SCHEMBL9971654 0.73 KMT2A (0.41) KMT2AMEN1GABRA1GABRB1GABRG2
SCHEMBL9641182 0.71 KDM4E (0.54) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL5327362 0.71 KMT2A (0.52) KMT2ANPC1MEN1KDM4EALDH1A1

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-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed