SCHEMBL9000815

SCHEMBL9000815

CSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ LMNA P02545 6/20 0.50
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9000496 0.93 MAPT (0.44) MAPTLMNATSHRTDP1PKM
SCHEMBL9000950 0.93 MAPT (0.46) MAPTLMNATSHRTDP1PKM
SCHEMBL9000852 0.91 MAPT (0.52) MAPTLMNATSHRTDP1PKM
SCHEMBL9000902 0.87 MAPT (0.42) MAPTLMNATDP1MEN1KMT2A
SCHEMBL9000853 0.86 SOAT1 (0.42) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000592 0.85 MAPT (0.44) MAPTLMNATDP1PKMMEN1
SCHEMBL9000651 0.84 SOAT1 (0.41) NPSR1ALDH1A1SMN1; SMN2POLBCYP2C9
SCHEMBL9000887 0.83 LMNA (0.39) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL9000530 0.81 MAPT (0.41) MAPTLMNATDP1MEN1KMT2A
SCHEMBL9000642 0.81 MAPT (0.41) MAPTLMNATDP1MEN1KMT2A

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
Send feedback