SCHEMBL11265472

SCHEMBL11265472

CC1CC(C)CN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5CC(C)CC(C)C5)sc4cc3s2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.52
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL11258511 0.86 L3MBTL1 (0.53) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11256985 0.85 CLK1 (0.57) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11257686 0.81 TSHR (0.48) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11265331 0.81 KDM4E (0.62) CLK1HTTSMN1; SMN2ALDH1A1POLB
Water SCHEMBL11255627 0.80 TSHR (0.48) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11257442 0.80 ALDH1A1 (0.71) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11256242 0.80 CLK1 (0.52) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11265935 0.80 KDM4E (0.64) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11262482 0.80 KDM4E (0.64) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11265830 0.79 CLK1 (0.58) CLK1HTTSMN1; SMN2ALDH1A1POLB

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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