SCHEMBL11273444

SCHEMBL11273444

CC1CSC(Cc2c(Cl)cc(Cl)cc2Cl)(Cn2ccnc2)S1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.37
ADRA2C P18825 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B2 P19099 1/20 0.34
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 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
SCHEMBL11253462 0.89 MAPK1 (0.37) HMOX1CYP19A1USP2LMNAALOX15
SCHEMBL11269757 0.89 HMOX1 (0.40) HMOX1ADRA2CCYP19A1
SCHEMBL11258724 0.88 ADRA2C (0.34) HMOX1ADRA2CCYP19A1CYP11B1CYP17A1
SCHEMBL11266636 0.87 MAPK1 (0.40) USP2LMNAALOX15ALDH1A1HTT
SCHEMBL11273497 0.87 HMOX1 (0.39) HMOX1ADRA2CCYP19A1USP2LMNA
SCHEMBL11265549 0.86 ADRA2C (0.41) HMOX1ADRA2CCYP19A1CYP11B1CYP17A1
SCHEMBL11261268 0.83 ADRA2C (0.40) ADRA2CCYP19A1CYP11B1CYP17A1CYP21A2
SCHEMBL11266730 0.83 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11258066 0.81 USP2 (0.36) HMOX1CYP19A1USP2LMNAALOX15
SCHEMBL11256513 0.81 ADRA2C (0.39) ADRA2CCYP19A1CYP11B1CYP17A1CYP21A2

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