SCHEMBL9539151

SCHEMBL9539151

CC(Nc1nccs1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.37
KCNA5 P22460 3/20 0.37
KCNE1 P15382 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL577833 0.77
SCHEMBL9536253 0.73 FDPS (0.45) ALDH1A1SMN1; SMN2FDPSMEN1KMT2A
SCHEMBL29180050 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL9537489 0.69 FDPS (0.42) ALDH1A1SMN1; SMN2FDPSKCNA5KCNE1
SCHEMBL9715445 0.68 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL18939567 0.67 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL9537775 0.67 NPC1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
Oxalic Acid SCHEMBL9536045 0.67 USP2 (0.57) ALDH1A1SMN1; SMN2FDPSUSP2LMNA
SCHEMBL23487154 0.67 FDPS (0.47) ALDH1A1SMN1; SMN2FDPSMEN1KMT2A
SCHEMBL13574526 0.67 FDPS (0.47) ALDH1A1SMN1; SMN2FDPSMEN1KMT2A

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed