SCHEMBL18889485

SCHEMBL18889485

CCc1ccc2c(c1)c1cc(Cl)ccc1n2CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.60
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
MAPT P10636 6/20 0.56
TP53 P04637 3/20 0.56
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1921261 0.89 PTGER4 (0.72) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL5798005 0.87 PTGER4 (0.57) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL27825721 0.83 MAPT (0.67) PTGER4MAPTTP53ALDH1A1HPGD
SCHEMBL10163400 0.81 KDM4E (0.66) MAPTTP53ALDH1A1HPGDKDM4E
SCHEMBL13067443 0.81 ALDH1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1921288 0.81 MAPT (0.65) PTGER4MAPTTP53ALDH1A1HPGD
SCHEMBL29643271 0.81 MAPT (0.65) PTGER4MAPTTP53ALDH1A1HPGD
SCHEMBL14492828 0.80 PGR (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11277311 0.79 MAPT (0.68) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL14283604 0.78 PTGER4 (0.49) PTGER4PSEN1PSEN2APH1BNCSTN

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
EP-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 EP disclosed