SCHEMBL8923079

SCHEMBL8923079

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSCCCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.37
HSP90AA1 P07900 3/20 0.37
HSP90B1 P14625 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8922387 0.91 MAPT (0.50) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8920748 0.90 KMT2A (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8921264 0.84 CYP4F2 (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8921973 0.84 KMT2A (0.39) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8921852 0.84 POLB (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8919875 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8923389 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNAHSP90AA1
SCHEMBL8924828 0.80 SMN1; SMN2 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8921188 0.77 KMT2A (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8920108 0.77 RAB9A (0.46) ALDH1A1KMT2AMAPTMEN1TP53

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed