SCHEMBL10697632

SCHEMBL10697632

CC(=O)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KDM4E B2RXH2 2/20 0.76
TDP1 Q9NUW8 1/20 0.76
MAPT P10636 5/20 0.67
PKM P14618 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
ABL1 P00519 3/20 0.65
RECQL P46063 1/20 0.65
ESR2 Q92731 1/20 0.65
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
GAA P10253 1/20 0.60

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
SCHEMBL206539 0.87 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL16607311 0.87 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL2020280 0.85 ABL1 (0.73) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL10699534 0.85 ABL1 (0.73) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL25287793 0.83 LMNA (0.90) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL30058875 0.82 ABL1 (0.72) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL11790758 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL11783863 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL8277912 0.82 MAPK1 (0.68) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL7679868 0.82 MAPK1 (0.82) ALDH1A1SMN1; SMN2TDP1MAPTPKM

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