SCHEMBL11546377

SCHEMBL11546377

NC(=O)Cc1[c]nccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SIRT4 Q9Y6E7 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 2/20 0.32
RECQL P46063 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1482847 0.82 NAPRT (0.44) CA2HTTCYP1A2NAPRTKDM4E
SCHEMBL20855044 0.81 POLB (0.33) HTTCYP1A2NAPRTKDM4EMAPT
SCHEMBL2067160 0.77 PKM (0.34) HTTCYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL1234999 0.77 CYP4F2 (0.39) HTTKDM4EMAPTSMN1; SMN2
SCHEMBL11546776 0.77 NR4A2 (0.36) HTTKDM4ESMN1; SMN2
SCHEMBL1243875 0.73
SCHEMBL1515340 0.73
SCHEMBL5683250 0.72
SCHEMBL3693413 0.72 KEAP1 (0.44) SMN1; SMN2
SCHEMBL1034150 0.69

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