SCHEMBL9000954

SCHEMBL9000954

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLC2A1 P11166 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SOAT1 P35610 5/20 0.41
▸ KLK7 P49862 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9000505 0.89 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2SLC2A1MEN1KMT2A
SCHEMBL9000864 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2SLC2A1MEN1KMT2A
SCHEMBL9000950 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9000450 0.85 SOAT1 (0.41) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9000445 0.83 POLB (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9000902 0.82 MAPT (0.42) MEN1KMT2ALMNAGAAMAPT
SCHEMBL9000713 0.80 EPHX1 (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9000745 0.79 EPHX1 (0.41) SMN1; SMN2MEN1KMT2ALMNAGAA
SCHEMBL9000815 0.79 MAPT (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9000853 0.78 SOAT1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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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