SCHEMBL11260909

SCHEMBL11260909

CCC1CSC(CCCn2ccnc2)(Cc2c(C)cc(C)cc2C)SC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.38
PRKCI P41743 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TBXAS1 P24557 1/20 0.36
QPCT Q16769 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL11265755 0.88 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11261391 0.86 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11265565 0.82 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL10782742 0.82 TBXAS1 (0.44) KDM4ELMNAPRKCIHSD17B10TBXAS1
SCHEMBL10780025 0.81 TBXAS1 (0.50) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL11273188 0.81 QPCT (0.43) ALDH1A1KDM4ELMNAPRKCITBXAS1
SCHEMBL11262248 0.80 POLB (0.42) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11265988 0.79 CYP19A1 (0.42) PRKCITBXAS1
SCHEMBL10785736 0.79 TBXAS1 (0.55) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL10784744 0.79 TBXAS1 (0.55) KMT2AMEN1KDM4ELMNAHTT

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