SCHEMBL570899

SCHEMBL570899

OC(CF)CN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
RAD52 P43351 1/20 0.50
BAX Q07812 2/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 2/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35

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
Hydrochloric Acid SCHEMBL5485556 0.98 SMN1; SMN2 (0.56) SMN1; SMN2RAD52BAXMAPTTP53
Trifluoroacetic Acid SCHEMBL7418749 0.86 SMN1; SMN2 (0.43) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL11438133 0.86 SMN1; SMN2 (0.60) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL151400 0.84 SMN1; SMN2 (0.58) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL24319375 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL2800007 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL17934826 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL1361161 0.80 MAPT (0.64) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL16908299 0.80 MAPT (0.64) SMN1; SMN2RAD52BAXMAPTTP53
SCHEMBL4400918 0.80 MAPT (0.64) SMN1; SMN2RAD52BAXMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
CN-102757422-A Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H- indazole-3-carboxamide and their therapeutic uses as p2y12 antagonists SANOFI SA 2012-10-31 CN disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed