SCHEMBL4675910

SCHEMBL4675910

NC(=O)c1ccc(-n2nnn(CCOC3CCCC3)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PARP15 Q460N3 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
PARP2 Q9UGN5 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4670468 0.82 PARP15 (0.42) PARP10PARP15ALDH1A1TSHRMAPK1
SCHEMBL4670081 0.81 ADRB2 (0.42) PARP10PARP15HRH3ALDH1A1TSHR
SCHEMBL4677832 0.81 PARP15 (0.43) PARP10PARP15TSHRMAPK1ATM
Water SCHEMBL4673066 0.81 ADRB2 (0.41) PARP10PARP15HRH3ALDH1A1TSHR
SCHEMBL4670624 0.81 PARP15 (0.40) PARP10PARP15HRH3ALDH1A1TSHR
SCHEMBL4670057 0.81 PARP15 (0.42) PARP10PARP15MAPK1ATMPARP2
Water SCHEMBL4672106 0.81 ADRB2 (0.41) PARP10PARP15HRH3ALDH1A1TSHR
SCHEMBL4670421 0.80 PARP10 (0.42) PARP10PARP15HRH3ALDH1A1TSHR
SCHEMBL4670036 0.80 PARP15 (0.44) PARP10PARP15ALDH1A1TSHRKDM4E
SCHEMBL4675267 0.80 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed