SCHEMBL10697885

SCHEMBL10697885

CC(=O)Nc1nc(C2=CCNCC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.48
NPC1 O15118 5/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
Bromide SCHEMBL10698646 0.99 ABL1 (0.47) ABL1NPC1HSD17B10KDM4EMAPK1
Bromide SCHEMBL10697998 0.78 ABL1 (0.47) ABL1NPC1HSD17B10KDM4EMAPK1
SCHEMBL31704506 0.76 QDPR (0.36) MAPK1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL31706419 0.76 QDPR (0.36) MAPK1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10696282 0.72 SIGMAR1 (0.42) LMNAALDH1A1HTT
SCHEMBL14544114 0.71 WNT3A (0.57) KDM4E
SCHEMBL10698628 0.71 ABL1 (0.45) ABL1NPC1HSD17B10KDM4EMAPK1
SCHEMBL10697725 0.69 SMN1; SMN2 (0.43) ABL1NPC1HSD17B10KDM4EMAPK1
SCHEMBL13842881 0.69 ABL1 (0.51) ABL1NPC1HSD17B10KDM4EMAPK1
SCHEMBL11350463 0.68 L3MBTL1 (0.62) ABL1NPC1HSD17B10KDM4EMAPK1

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-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed