SCHEMBL11255823

SCHEMBL11255823

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCC(Cc5ccccc5)CC4)sc3cc2s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
CLK1 P49759 3/20 0.51
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL11261947 0.85 DRD2 (0.54) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11254394 0.85 PKM (0.59) CLK1L3MBTL1
SCHEMBL11256985 0.81 CLK1 (0.57) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11270275 0.81 SLC27A1 (0.69) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265331 0.79 KDM4E (0.62) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11262482 0.78 KDM4E (0.64) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265935 0.78 KDM4E (0.64) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11254392 0.77 SMN1; SMN2 (0.43) ALDH1A1POLBCLK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11254026 0.77 KDM4E (0.63) ALDH1A1POLBCLK1HTTSMN1; SMN2
SCHEMBL11265830 0.77 CLK1 (0.58) 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