SCHEMBL9038764

SCHEMBL9038764

O=CNN1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NOTUM Q6P988 1/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1383225 0.89 ALDH1A1 (0.44) SMN1; SMN2NOTUMPOLBSIGMAR1MEN1
SCHEMBL28654768 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL29206272 0.77 POLB (0.47) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL14625026 0.77 NOTUM (0.50) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL1716131 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL27745558 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL1859866 0.73 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
SCHEMBL10440938 0.73 NOTUM (0.59) SMN1; SMN2NOTUMPOLBRECQLMEN1
SCHEMBL5263502 0.73 SMN1; SMN2 (0.46) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1
Hydrochloric Acid SCHEMBL1859868 0.73 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMPOLBRECQLSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 EP disclosed