SCHEMBL6468844

SCHEMBL6468844

CCCNNCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NAMPT P43490 3/20 0.43
ADRA2C P18825 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL31412830 0.84 LOXL2 (0.50) LMNAHTTSMN1; SMN2MAPTADRA2C
SCHEMBL3741348 0.81 ALDH1A1 (0.50) LMNAHTTSMN1; SMN2MAPTMAPK1
Hydrochloric Acid SCHEMBL5395461 0.79 ALDH1A1 (0.49) LMNAHTTSMN1; SMN2NAMPTALDH1A1
SCHEMBL14548719 0.78 LMNA (0.47) LMNASMN1; SMN2MAPTMAPK1HDAC3
SCHEMBL2893366 0.78 MEN1 (0.50) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL318675 0.77 CYP1A2 (0.58) HTTSMN1; SMN2ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL11560498 0.77 MAPT (0.52) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22186340 0.76 ADRA2C (0.46) LMNAHTTSMN1; SMN2ADRA2CALDH1A1
SCHEMBL3266830 0.73 HRH4 (0.58) LMNAHTTSMN1; SMN2MAPTNAMPT
SCHEMBL2188159 0.72 HRH4 (0.67) LMNAHTTSMN1; SMN2ALDH1A1

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
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed