SCHEMBL9000610

SCHEMBL9000610

CCCCc1ccc(C(SCc2ccc(Cl)cc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 1/20 0.39
▸ IDH1 O75874 1/20 0.35
▸ SOAT1 P35610 5/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9000603 0.96 SOAT1 (0.35) SOAT1MEN1KMT2AMAPK1RAB9A
SCHEMBL9000777 0.93 KMT2A (0.37) SOAT1MEN1KMT2APOLB
SCHEMBL9000831 0.90 TOP2A (0.37) SOAT1MEN1KMT2APOLBRAB9A
SCHEMBL9000753 0.88 SOAT1 (0.39) SOAT1MEN1KMT2APOLBRAB9A
SCHEMBL9000768 0.87 EPHX1 (0.41) —
SCHEMBL9000701 0.87 EPHX1 (0.41) SOAT1MEN1KMT2APOLB
SCHEMBL9000915 0.87 SOAT1 (0.44) SOAT1MAPK1RAB9A
SCHEMBL9000769 0.86 SOAT1 (0.44) SOAT1MEN1KMT2APOLB
SCHEMBL9000608 0.85 FNTA (0.37) SOAT1P2RX3KMT2A
SCHEMBL9000722 0.85 SMN1; SMN2 (0.36) P2RX3MAPK1RAB9A

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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