SCHEMBL8344016

SCHEMBL8344016

CSc1cc(C)nc(SC)c1NC(=O)NCC(CCCc1ccccc1)c1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SOAT1 P35610 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35

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
SCHEMBL8340893 0.89 KMT2A (0.39) KMT2AMEN1SOAT1SMN1; SMN2ALDH1A1
SCHEMBL8345849 0.83 SOAT1 (0.40) KMT2AMEN1SOAT1SMN1; SMN2ALDH1A1
SCHEMBL8343755 0.80 SOAT1 (0.36) SOAT1ALDH1A1POLBMAPT
SCHEMBL8341134 0.78 SOAT1 (0.39) SOAT1
SCHEMBL8340932 0.77 SOAT1 (0.39) SOAT1
SCHEMBL8343733 0.77 KMT2A (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8339510 0.77 SOAT1 (0.39) SOAT1
SCHEMBL8340740 0.77 SOAT1 (0.39) SOAT1
SCHEMBL8344851 0.76 SOAT1 (0.38) SOAT1ALDH1A1LMNAMAPT
SCHEMBL8341460 0.76 SOAT1 (0.40) SOAT1SMN1; SMN2LMNACYP2C9NPC1

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-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US disclosed
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