SCHEMBL11269393

SCHEMBL11269393

CCOc1ccc(CC2(Cn3ccnc3)SCC(CC)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.44
TBXAS1 P24557 4/20 0.40
LTA4H P09960 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
QPCT Q16769 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP19A1 P11511 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11259421 0.91 CYP19A1 (0.42) ALDH1A1KDM4ELMNATBXAS1KMT2A
SCHEMBL11260381 0.90 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11251198 0.90 KDM4E (0.46) ALDH1A1KDM4ELMNATBXAS1
SCHEMBL11266883 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11267566 0.88 QPCT (0.35) QPCTCYP19A1
SCHEMBL11270475 0.87 CYP11B1 (0.45) QPCTCYP19A1
SCHEMBL11255306 0.86 HMOX1 (0.44) CYP19A1
SCHEMBL11265306 0.86 CYP2A6 (0.45) CYP19A1
SCHEMBL11264945 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11259935 0.86 HMOX1 (0.38)

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
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed