SCHEMBL9000511

SCHEMBL9000511

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OGA O60502 1/20 0.37
▸ TP53 P04637 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
SCHEMBL9000777 0.89 KMT2A (0.37) LMNAMEN1KMT2ATP53
SCHEMBL9000831 0.86 TOP2A (0.37) HTTMAPTRAB9ALMNASMN1; SMN2
SCHEMBL9000701 0.83 EPHX1 (0.41) MEN1KMT2A
SCHEMBL9000768 0.83 EPHX1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9000910 0.83 SOAT1 (0.39) RAB9ASMN1; SMN2KMT2A
SCHEMBL9000610 0.82 CTRC (0.39) RAB9AMEN1KMT2A
SCHEMBL9000671 0.80 EPHX1 (0.34) HTTMAPTRAB9ALMNAMEN1
SCHEMBL9000745 0.80 EPHX1 (0.41) HTTMAPTRAB9ALMNASMN1; SMN2
SCHEMBL9000839 0.79 SOAT1 (0.38) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL9000708 0.78 EPHX1 (0.38) ALDH1A1HTTMAPTLMNASMN1; 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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