SCHEMBL9000839

SCHEMBL9000839

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.38
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ S1PR3 Q99500 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL9000671 0.91 EPHX1 (0.34) SOAT1MAPTLMNAHTTMEN1
SCHEMBL9000753 0.91 SOAT1 (0.39) SOAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9000506 0.90 SOAT1 (0.39) SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL9000708 0.90 EPHX1 (0.38) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL9000651 0.90 SOAT1 (0.41) SOAT1CYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9000575 0.88 SOAT1 (0.39) SOAT1CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL9000445 0.87 POLB (0.43) SOAT1MAPTLMNAALDH1A1MEN1
SCHEMBL9000777 0.86 KMT2A (0.37) SOAT1CYP3A4LMNAMEN1CYP1A2
SCHEMBL9000787 0.86 LMNA (0.46) SOAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9000604 0.85 EPHX1 (0.47) SOAT1CYP3A4MAPTALDH1A1KDM4E

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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