SCHEMBL6928216

SCHEMBL6928216

CSc1nnnn1CCN

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
LMNA P02545 1/20 0.77
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4597345 0.82 KMT2A (0.80) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL11689714 0.82 KMT2A (0.80) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL6928209 0.80 KMT2A (0.48) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL10985420 0.80 KMT2A (0.77) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL11687245 0.78 KMT2A (0.74) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL3742869 0.77 LMNA (0.71) KMT2ALMNAALDH1A1
SCHEMBL11069089 0.77
SCHEMBL11335820 0.76 KMT2A (0.70) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL11670320 0.76 KMT2A (0.69) KMT2ALMNAALDH1A1CYP1A2HSD17B10
SCHEMBL9331809 0.74 KMT2A (0.67) KMT2ALMNAALDH1A1HSD17B10HTT

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