SCHEMBL6300283

SCHEMBL6300283

NC(=O)c1ccc(-n2nnn(CCCOc3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.47
MAOB P27338 2/20 0.47
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 7/20 0.43
TBXAS1 P24557 1/20 0.42
KCNH2 Q12809 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6300285 0.86 NPC1 (0.41) MAOBHRH3KCNH2HRH1NPC1
SCHEMBL4672123 0.77 MAPKAPK2 (0.46) PARP10TSHR
SCHEMBL4675102 0.76 ALDH1A1 (0.42) PARP10TSHRMEN1KMT2ANPC1
SCHEMBL4670479 0.75 ALDH1A1 (0.39) PARP10TSHRMEN1KMT2A
SCHEMBL4673352 0.74 MAPK1 (0.50) TSHRMEN1KMT2A
SCHEMBL4670081 0.74 ADRB2 (0.42) PARP10MAOBTSHRHRH3NPC1
SCHEMBL6301319 0.74 PARP10 (0.41) PARP10MAOBTSHRHRH3MEN1
Water SCHEMBL4673066 0.73 ADRB2 (0.41) PARP10MAOBTSHRHRH3
SCHEMBL4670046 0.73 PARP10 (0.40) PARP10MAOBTSHRHRH3MEN1
Water SCHEMBL4672106 0.73 ADRB2 (0.41) PARP10MAOBTSHRHRH3

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
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed