SCHEMBL9000496

SCHEMBL9000496

CSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ LMNA P02545 6/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL9000815 0.93 MAPT (0.50) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000887 0.90 LMNA (0.39) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000950 0.90 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000642 0.89 MAPT (0.41) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000852 0.88 MAPT (0.52) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000505 0.85 SMN1; SMN2 (0.51) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000753 0.85 SOAT1 (0.39) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000902 0.85 MAPT (0.42) MAPTLMNAMEN1KMT2APOLB
SCHEMBL9000592 0.83 MAPT (0.44) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000777 0.82 KMT2A (0.37) LMNAMEN1KMT2APOLB

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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