SCHEMBL9178459

SCHEMBL9178459

O=C1C(=O)N2CCCc3cc(Br)cc1c32

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.62
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
TTR P02766 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARK7 Q99497 2/20 0.34
TP53 P04637 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
SCHEMBL9470716 0.95 CES1 (0.56) CES1NPSR1ALDH1A1MAPTHTT
SCHEMBL9170783 0.81 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL10367966 0.81 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL10367642 0.81 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL5363737 0.78 CES1 (0.59) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL8768338 0.77 CES1 (1.00) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9172070 0.76 CES1 (0.56) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL1762467 0.75 CYP11B1 (0.54) MEN1TSHRKMT2A
SCHEMBL29876793 0.75 NPC1 (0.57) MAPTMEN1TSHRKMT2ANPC1
SCHEMBL9177549 0.73 CES1 (0.39) CES1MAPTPARK7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310096-B1 Novel cyclic anthranilic acid derivatives and process for their preparation KYORIN SEIYAKU KK (JP) 1995-04-19 EP disclosed
US-5147874-A Antiarthritic agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-09-15 US disclosed
US-4956372-A ANTIRHEUMATOID AND IMMUNOMODULATORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0310096-A2 Novel cyclic anthranilic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed