SCHEMBL6283735

SCHEMBL6283735

CSc1cc(C)nc(SCC(O[SiH](C)C)C(C)(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 15/20 0.74
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4513200 0.86 SOAT1 (1.00) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6283728 0.84 SOAT1 (0.78) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6286182 0.82 SOAT1 (0.91) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6280133 0.81 SOAT1 (0.81) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6282626 0.80 SOAT1 (0.88) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL6281841 0.80 SOAT1 (0.78) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6282089 0.79 SOAT1 (0.77) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL1704601 0.76 SOAT1 (0.78) SOAT1ALDH1A1
Hydrochloric Acid SCHEMBL6471841 0.76 SOAT1 (0.76) SOAT1ALDH1A1
Hydrochloric Acid SCHEMBL1705129 0.76 SOAT1 (0.76) SOAT1ALDH1A1

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-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed