SCHEMBL11258196

SCHEMBL11258196

CCCCC1CSC(CCn2ccnc2)(c2ccc(C)cc2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.40
TBXAS1 P24557 1/20 0.38
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PRKCI P41743 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL11273217 0.91 QPCT (0.39) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11262046 0.91 TBXAS1 (0.39) TBXAS1CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL11254517 0.90 QPCT (0.38) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11292842 0.89 QPCT (0.40) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11263602 0.89 KMT2A (0.44) QPCTALDH1A1LMNATSHRKDM4E
SCHEMBL11273285 0.83 QPCT (0.41) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11265825 0.82 CYP19A1 (0.40) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11269550 0.81 CYP19A1 (0.39) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11258598 0.81 QPCT (0.38) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11255809 0.81 TBXAS1 (0.38) TBXAS1CYP19A1CYP11B1CYP11B2KMT2A

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