SCHEMBL11256242

SCHEMBL11256242

CC1CCN(CC(=O)Nc2nc3cc4nc(N)sc4cc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.52
▸ HTT P42858 2/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PIK3CA P42336 1/20 0.48
▸ 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

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
SCHEMBL11256985 0.93 CLK1 (0.57) CLK1HTTCA1CA2CA9
SCHEMBL11257686 0.88 TSHR (0.48) CLK1HTTSMN1; SMN2PIK3CAALDH1A1
Water SCHEMBL11255627 0.87 TSHR (0.48) CLK1HTTSMN1; SMN2PIK3CAALDH1A1
SCHEMBL11252940 0.82 CLK1 (0.56) CLK1HTTCA1CA2CA9
SCHEMBL11258511 0.81 L3MBTL1 (0.53) CLK1HTTSMN1; SMN2PIK3CAALDH1A1
SCHEMBL11265331 0.80 KDM4E (0.62) CLK1HTTSMN1; SMN2PIK3CAALDH1A1
SCHEMBL11265472 0.80 CLK1 (0.52) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11257442 0.79 ALDH1A1 (0.71) CLK1HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL11262482 0.79 KDM4E (0.64) CLK1HTTSMN1; SMN2PIK3CAALDH1A1
SCHEMBL11265935 0.79 KDM4E (0.64) CLK1HTTSMN1; SMN2PIK3CAALDH1A1

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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