SCHEMBL9000644

SCHEMBL9000644

CCCCc1ccc(C(F)(F)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TRPV1 Q8NER1 3/20 0.37
▸ SOAT1 P35610 6/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EIF4A1 P60842 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34

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
SCHEMBL9000550 0.85 SORT1 (0.40) SOAT1KMT2ALMNATSHR
SCHEMBL9000766 0.83 SOAT1 (0.38) SOAT1MEN1KMT2AHPGDCYP1A2
SCHEMBL9001013 0.81 MAPT (0.42) MAPK1SOAT1MEN1KMT2A
SCHEMBL9000583 0.77 KDM1A (0.37) SOAT1HPGDLMNA
SCHEMBL9000816 0.77 SOAT1 (0.37) SOAT1MEN1KMT2AHPGDLMNA
SCHEMBL9000920 0.76 MAPK1 (0.37) RAB9AMAPK1SOAT1
SCHEMBL9000603 0.76 SOAT1 (0.35) RAB9AMAPK1SOAT1MEN1KMT2A
SCHEMBL8322248 0.75 SOAT1 (0.49) SOAT1MEN1KMT2ATSHR
SCHEMBL9000915 0.74 SOAT1 (0.44) RAB9AMAPK1SOAT1
SCHEMBL9000515 0.73 SOAT1 (0.36) SOAT1HPGD

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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