SCHEMBL20525375

SCHEMBL20525375

CC(NC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
MAPT P10636 10/20 0.59
PABPC1 P11940 1/20 0.58
APOBEC3A P31941 1/20 0.58
EIF4H Q15056 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
TP53 P04637 5/20 0.56
POLB P06746 2/20 0.56
DRD2 P14416 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL20525374 1.00 LMNA (0.67) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525437 1.00 LMNA (0.67) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525402 0.92 LMNA (0.62) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525403 0.92 LMNA (0.62) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525442 0.92 LMNA (0.62) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL16431347 0.87 DRD2 (0.68) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525383 0.86 MAPT (0.60) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL16431112 0.81 PABPC1 (0.70) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525357 0.80 LMNA (0.71) LMNAMAPTPABPC1APOBEC3AEIF4H
SCHEMBL20525397 0.79 DRD2 (0.70) LMNAMAPTPABPC1APOBEC3AEIF4H

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
EP-3027612-B1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS US HEALTH (US) 2018-10-10 EP claimed