SCHEMBL20033736

SCHEMBL20033736

CC(C)(S)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
NPSR1 Q6W5P4 5/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PLAU P00749 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13165466 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAKMT2AMAPT
SCHEMBL18843472 0.80 ALDH1A1 (0.32) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL2415072 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E
SCHEMBL31214124 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1LMNAKMT2AGAA
SCHEMBL20033674 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAGAASMN1; SMN2
SCHEMBL29504068 0.76 TSHR (0.44) ALDH1A1NPSR1MAPTGAASMN1; SMN2
SCHEMBL1747710 0.76 TSHR (0.44) ALDH1A1NPSR1MAPTGAASMN1; SMN2
SCHEMBL1141727 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAMAPTGAA
SCHEMBL120994 0.74 ALDH1A1 (0.56) ALDH1A1NPSR1LMNAMAPTGAA
SCHEMBL29414916 0.74 ALDH1A1 (0.56) ALDH1A1NPSR1LMNAMAPTGAA

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-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed