SCHEMBL11261268

SCHEMBL11261268

Clc1cc(Cl)c(CC2(Cn3ccnc3)SCCS2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 3/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CRHR1 P34998 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11256513 0.95 ADRA2C (0.39) ADRA2CCYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL11256509 0.87 LMNA (0.38) ADRA2CCYP19A1MAPTUSP2LMNA
SCHEMBL11264631 0.87 ADRA2C (0.39) ADRA2CCYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL11264094 0.85 ADRA2C (0.38) ADRA2CCYP19A1USP2LMNAALOX15
SCHEMBL11270296 0.85 LMNA (0.42) MAPTUSP2LMNAALOX15MAPK1
SCHEMBL11254200 0.84 ADRA2C (0.46) ADRA2CCYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL11273444 0.83 HMOX1 (0.37) ADRA2CCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL11260943 0.83 ADRA2C (0.38) ADRA2CCYP19A1
SCHEMBL11263798 0.81 LMNA (0.40) MAPTUSP2LMNAALOX15MAPK1
SCHEMBL11258724 0.81 ADRA2C (0.34) ADRA2CCYP19A1CYP11B1CYP11B2CYP17A1

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