SCHEMBL8632140

SCHEMBL8632140

CCCSC(c1ccccc1)N(N)C(=O)C1CCCc2[nH]c3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
TSPO P30536 1/20 0.34
CASP1 P29466 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL901479 0.77 TSPO (0.55) SIRT2SIRT1TSPO
SCHEMBL8595169 0.72 SIRT1 (0.50) SIRT2SIRT1CASP1SIGMAR1
SCHEMBL3258128 0.71 SIRT1 (0.63) SIRT2SIRT1CASP1SIGMAR1
SCHEMBL11848642 0.68 KDM4E (0.50) SIRT2SIRT1KMT2A
Sulfuric Acid SCHEMBL8592514 0.68 SIRT1 (0.57) SIRT2SIRT1CASP1
SCHEMBL11843108 0.68 KDM4E (0.48)
SCHEMBL11835576 0.66 GABRA1 (0.44) SIRT2SIRT1CASP1SIGMAR1
SCHEMBL11844570 0.66 SIRT2 (0.43) SIRT2SIRT1CASP1SIGMAR1KMT2A
SCHEMBL8575677 0.65 SIRT1 (0.46) SIRT2SIRT1CASP1KMT2A
SCHEMBL8632139 0.65 ABCB1 (0.35) SIRT2SIRT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed