SCHEMBL11575708

SCHEMBL11575708

C=CCNC(=O)c1[c]nccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 7/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.43
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 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
SCHEMBL6314435 0.76 LMNA (0.42) CYP1A2LMNACYP2C19L3MBTL1CYP2C9
SCHEMBL480866 0.75 HPGD (0.51) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA
SCHEMBL17515099 0.75 HTT (0.53) SMN1; SMN2HPGDGAAL3MBTL1RAB9A
SCHEMBL1499227 0.74 MKNK1 (0.40) SMN1; SMN2HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL10589307 0.73 NAAA (0.55) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL2066987 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA
SCHEMBL2069209 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA
SCHEMBL2069207 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA
SCHEMBL21994282 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL997166 0.71 GAA (0.72) SMN1; SMN2HPGDALDH1A1CYP1A2LMNA

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-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed