SCHEMBL8947427

SCHEMBL8947427

CCCCn1c(=O)n(C(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
CNR2 P34972 2/20 0.50
PGR P06401 1/20 0.49
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
RORB Q92753 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL3301756 0.83 TMEM97 (0.51) PGRALDH1A1MEN1KMT2A
SCHEMBL8662878 0.82 CNR2 (0.50) KDM4ECNR2ALDH1A1MEN1KMT2A
SCHEMBL1520170 0.79 PGR (0.53) KDM4ECNR2PGRRORARORC
SCHEMBL6910089 0.78 PGR (0.56) KDM4ECNR2PGRRORARORC
SCHEMBL27369455 0.78 TSHR (0.57) PGRRORARORCRORBALDH1A1
SCHEMBL6421284 0.78 CNR2 (0.57) KDM4ECNR2PGRRORARORC
SCHEMBL8119434 0.77 ALDH1A1 (0.46) KDM4ECNR2ALDH1A1HTTHPGD
SCHEMBL25316072 0.76 CNR2 (0.56) KDM4ECNR2PGRRORARORC
SCHEMBL8862370 0.76 CNR2 (0.56) KDM4ECNR2PGRRORARORC
SCHEMBL30484777 0.76 CNR2 (0.56) KDM4ECNR2PGRRORARORC

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
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US disclosed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US disclosed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 US disclosed