SCHEMBL20525439

SCHEMBL20525439

CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccc(F)cc3)cc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.67
LMNA P02545 3/20 0.66
MAPT P10636 7/20 0.61
POLB P06746 5/20 0.60
TP53 P04637 5/20 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
RXFP1 Q9HBX9 1/20 0.56
DRD3 P35462 1/20 0.55

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
SCHEMBL20525399 0.92 LMNA (0.66) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525357 0.92 LMNA (0.71) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525392 0.90 POLB (0.66) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525444 0.90 POLB (0.74) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525391 0.90 LMNA (0.66) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525398 0.90 DRD2 (0.67) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525366 0.88 DRD2 (0.80) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525380 0.88 DRD2 (0.80) DRD2LMNAMAPTPOLBTP53
SCHEMBL20525372 0.86 LMNA (0.64) DRD2LMNAMAPTPOLBTP53
SCHEMBL17086311 0.85 LMNA (0.65) DRD2LMNAMAPTPOLBTP53

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