SCHEMBL11269176

SCHEMBL11269176

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SLC27A1 Q6PCB7 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51

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 0.85 KDM4E (0.62) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11257442 0.84 ALDH1A1 (0.71) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11265935 0.84 KDM4E (0.64) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11262482 0.84 KDM4E (0.64) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11255872 0.83 CLK1 (0.58) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11265830 0.83 CLK1 (0.58) CLK1ALDH1A1HTTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL11254026 0.83 KDM4E (0.63) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11254906 0.81 ALDH1A1 (0.75) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11251039 0.81 CLK1 (0.57) CLK1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL11256985 0.80 CLK1 (0.57) CLK1ALDH1A1HTTPOLBSMN1; 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
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