SCHEMBL7320565

SCHEMBL7320565

CC(=O)Oc1ccc(C(=N)N)cc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 5/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ELANE P08246 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7333102 0.94 MAPT (0.48) MAPTMAPK1KDM4ETSHRHSD17B10
SCHEMBL7321924 0.89 SLC6A3 (0.47) MAPTKDM4EESR1PTGDR2PRSS1
Bicarbonate SCHEMBL7333292 0.87 SLC6A3 (0.46) MAPTKDM4EESR1PTGDR2PRSS1
SCHEMBL9473309 0.85 KDM4E (0.65) MAPTMAPK1KDM4ETSHRHSD17B10
SCHEMBL7324828 0.84 FTO (0.47) MAPTALDH1A1LMNAPRSS1F2
SCHEMBL7331521 0.84 PTGDR2 (0.43) MAPTKDM4EELANEPTGDR2PRSS1
SCHEMBL7331841 0.84 ESR1 (0.50) MAPTMAPK1ALDH1A1ESR1GAA
SCHEMBL7323625 0.83 ALDH1A1 (0.52) MAPTALDH1A1LMNAPRSS1F2
Bromide SCHEMBL7327444 0.83 PTGDR2 (0.42) MAPTKDM4EELANEPTGDR2PRSS1
Bromide SCHEMBL7330269 0.83 ESR1 (0.49) MAPTMAPK1ALDH1A1ESR1GAA

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
JP-58041855-A None JP disclosed
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed
JP-S5841855-A AMIDINE COMPOUND TORII YAKUHIN KK 1983-03-11 JP disclosed