SCHEMBL11265830

SCHEMBL11265830

O=C(CN1CCSCC1)Nc1nc2cc3nc(NC(=O)CN4CCSCC4)sc3cc2s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.58
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.57
AHR P35869 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL11265331 0.89 KDM4E (0.62) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11262482 0.88 KDM4E (0.64) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11265935 0.88 KDM4E (0.64) CLK1ALDH1A1HTTPOLBKMT2A
Hydrochloric Acid SCHEMBL11254026 0.87 KDM4E (0.63) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11257442 0.86 ALDH1A1 (0.71) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11254906 0.86 ALDH1A1 (0.75) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11251039 0.86 CLK1 (0.57) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11255872 0.85 CLK1 (0.58) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11256985 0.84 CLK1 (0.57) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11269176 0.83 CLK1 (0.56) CLK1ALDH1A1HTTPOLBKMT2A

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