SCHEMBL9001010

SCHEMBL9001010

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.43
▸ LMNA P02545 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ EEF2K O00418 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PHKG2 P15735 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MARK3 P27448 1/20 0.36

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
SCHEMBL9000419 0.81 SOAT1 (0.41) SOAT1LMNANTRK1MEN1KMT2A
SCHEMBL9000628 0.78 SOAT1 (0.45) SOAT1LMNAHTTCDK2CDK5
SCHEMBL9000550 0.77 SORT1 (0.40) SOAT1LMNANTRK1KMT2A
SCHEMBL8344256 0.77 SOAT1 (0.43) SOAT1LMNAHTTL3MBTL1ALDH1A1
SCHEMBL6284260 0.77 ALDH1A1 (0.46) SOAT1HTTALDH1A1MEN1KMT2A
SCHEMBL32667998 0.76 CYP1A2 (0.50) SOAT1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9000743 0.75 SOAT1 (0.38) SOAT1MEN1KMT2ARAB9AGAA
SCHEMBL9000766 0.75 SOAT1 (0.38) SOAT1MEN1KMT2AHPGD
SCHEMBL9000670 0.74 SOAT1 (0.39) SOAT1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9000682 0.74 SOAT1 (0.40) SOAT1ALDH1A1HPGDRAB9ASMN1; SMN2

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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