SCHEMBL17055697

SCHEMBL17055697

COC(=O)c1ccc(N)c(C(N)I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 6/20 0.54
GAA P10253 3/20 0.54
HSD17B10 Q99714 2/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
LNPEP Q9UIQ6 7/20 0.47
ERAP2 Q6P179 4/20 0.47
USP2 O75604 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 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
SCHEMBL19900116 0.83 MAPT (0.57) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL18573835 0.83 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4119820 0.82 MAPT (0.56) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL192100 0.77 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL29375113 0.77 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL61793 0.76 MAPT (0.61) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL1223871 0.75 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL7251305 0.75 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
Ammonia Solution, Strong SCHEMBL5311634 0.75 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL5006583 0.75 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2015130795-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed