SCHEMBL11257442

SCHEMBL11257442

CN1CCN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5CCN(C)CC5)sc4cc3s2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
POLB P06746 2/20 0.71
CLK1 P49759 3/20 0.63
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL11255872 0.89 CLK1 (0.58) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265331 0.88 KDM4E (0.62) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265935 0.87 KDM4E (0.64) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11262482 0.87 KDM4E (0.64) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265830 0.86 CLK1 (0.58) ALDH1A1POLBCLK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11254026 0.86 KDM4E (0.63) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11256985 0.85 CLK1 (0.57) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11254906 0.85 ALDH1A1 (0.75) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11251039 0.85 CLK1 (0.57) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11269176 0.84 CLK1 (0.56) ALDH1A1POLBCLK1HTTSMN1; SMN2

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