SCHEMBL6928209

SCHEMBL6928209

[CH2]Sc1nnnn1CCN

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4597338 0.82 CYP1A2 (0.55) KMT2ALMNACYP1A2ALDH1A1HSD17B10
SCHEMBL6928216 0.80 KMT2A (0.77) KMT2ALMNACYP1A2ALDH1A1HSD17B10
SCHEMBL11689701 0.80 KMT2A (0.53) KMT2ALMNACYP1A2ALDH1A1HSD17B10
SCHEMBL11687235 0.77 HTT (0.52) KMT2ALMNACYP1A2ALDH1A1HSD17B10
SCHEMBL10796862 0.77 KMT2A (0.55) KMT2ALMNACYP1A2ALDH1A1HSD17B10
SCHEMBL10475166 0.76 LMNA (0.48) KMT2ALMNACYP1A2ALDH1A1
SCHEMBL3742866 0.76 LMNA (0.48) KMT2ALMNAALDH1A1
SCHEMBL9479526 0.75
SCHEMBL9703552 0.75
SCHEMBL9331808 0.74 LMNA (0.43) KMT2ALMNACYP1A2ALDH1A1HSD17B10

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
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO claimed
US-4267176-A Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO disclosed