SCHEMBL9452204

SCHEMBL9452204

O=C(O)c1cc(=O)c2c(C(F)(F)F)cccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
GPR35 Q9HC97 2/20 0.53
MEN1 O00255 2/20 0.53
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
AHR P35869 1/20 0.53

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
SCHEMBL429658 0.83 GLA (0.46) CYP1A2KDM4EGLAGAAMAPT
SCHEMBL30310417 0.80 KDM4E (0.53) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL1144458 0.80 KDM4E (0.53) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL9452298 0.80 HPGD (0.57) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL9499289 0.79 KDM4E (0.37) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL52094 0.78 HPGD (0.58) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL9452250 0.78 KDM4E (0.58) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL9452228 0.77 HPGD (0.57) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL9452283 0.77 HPGD (0.57) HPGDGPR35MEN1GRIN2DGRIN3B
SCHEMBL19032114 0.77 MAPT (0.49) HPGDMEN1CYP1A2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed
EP-0303387-A1 Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1989-02-15 EP claimed
US-5270309-A Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LIMITED (GB) 1993-12-14 US disclosed
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP disclosed
EP-0303387-A1 Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1989-02-15 EP disclosed