SCHEMBL11255872

SCHEMBL11255872

O=C(CN1CCN(CCO)CC1)Nc1nc2cc3nc(NC(=O)CN4CCN(CCO)CC4)sc3cc2s1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.58
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL11257442 0.89 ALDH1A1 (0.71) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11265331 0.87 KDM4E (0.62) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11265935 0.86 KDM4E (0.64) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11262482 0.86 KDM4E (0.64) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11265830 0.85 CLK1 (0.58) CLK1ALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11254026 0.85 KDM4E (0.63) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11251039 0.84 CLK1 (0.57) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11254906 0.84 ALDH1A1 (0.75) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11269176 0.83 CLK1 (0.56) CLK1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11256985 0.81 CLK1 (0.57) CLK1ALDH1A1POLBHTTSMN1; 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