SCHEMBL8921852

SCHEMBL8921852

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSCCCc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MARS1 P56192 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.85 MAPT (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8920748 0.84 KMT2A (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8923079 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8923389 0.83 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8921264 0.83 CYP4F2 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8919875 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8921856 0.80 POLB (0.41) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL8921973 0.79 KMT2A (0.39) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL8924828 0.77 SMN1; SMN2 (0.43) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL8921188 0.76 KMT2A (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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