SCHEMBL10474368

SCHEMBL10474368

CCOC(=O)C(C(=O)c1ccc(Br)cc1Cl)=C(SC)SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 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
SCHEMBL3816097 0.87 TDP1 (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL24252816 0.85 MEN1 (0.49) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL30451233 0.85 MEN1 (0.49) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL1568424 0.85 DGAT1 (0.43) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL28530497 0.83 MEN1 (0.44) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL10475593 0.80 CASP1 (0.42)
SCHEMBL8286314 0.76 MEN1 (0.39) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL3846563 0.76 CYP4F2 (0.55) LMNAALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL3411086 0.76 MEN1 (0.47) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL3411087 0.76 MEN1 (0.47) MEN1KMT2AMAPTS1PR4LMNA

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-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 US disclosed