SCHEMBL9000505

SCHEMBL9000505

CSc1cc(C)nc(SC)c1NC(=O)C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ SLC2A1 P11166 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ SOAT1 P35610 5/20 0.41
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PRCP P42785 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ HTT P42858 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
SCHEMBL9000954 0.89 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNASLC2A1
SCHEMBL9000864 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2ASLC2A1MEN1
SCHEMBL9000496 0.85 MAPT (0.44) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9000758 0.85 SOAT1 (0.41) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9000753 0.83 SOAT1 (0.39) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9000777 0.79 KMT2A (0.37) KMT2ALMNAMEN1SOAT1CNR2
SCHEMBL9000815 0.79 MAPT (0.50) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9000853 0.78 SOAT1 (0.42) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9000608 0.78 FNTA (0.37) KMT2ALMNASOAT1NPSR1
SCHEMBL9000887 0.78 LMNA (0.39) SMN1; SMN2KMT2ALMNAMEN1SOAT1

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-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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