SCHEMBL20525399

SCHEMBL20525399

CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3cc(F)cc(F)c3)cc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
MAPT P10636 7/20 0.59
TP53 P04637 5/20 0.59
POLB P06746 3/20 0.59
DRD2 P14416 2/20 0.58
PABPC1 P11940 1/20 0.58
APOBEC3A P31941 1/20 0.58
EIF4H Q15056 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58

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
SCHEMBL20525392 0.92 POLB (0.66) LMNAMAPTTP53POLBDRD2
SCHEMBL20525439 0.92 DRD2 (0.67) LMNAMAPTTP53POLBDRD2
SCHEMBL20525357 0.90 LMNA (0.71) LMNAMAPTTP53POLBDRD2
SCHEMBL20525391 0.86 LMNA (0.66) LMNAMAPTTP53POLBDRD2
SCHEMBL20525444 0.86 POLB (0.74) LMNAMAPTTP53POLBDRD2
SCHEMBL20525398 0.86 DRD2 (0.67) LMNAMAPTTP53POLBDRD2
SCHEMBL17086311 0.85 LMNA (0.65) LMNAMAPTTP53POLBDRD2
SCHEMBL20525372 0.84 LMNA (0.64) LMNAMAPTTP53POLBDRD2
SCHEMBL20525401 0.84 TP53 (0.75) LMNAMAPTTP53POLBDRD2
SCHEMBL20525380 0.84 DRD2 (0.80) LMNAMAPTTP53POLBDRD2

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