SCHEMBL9869826

SCHEMBL9869826

CCOC(=O)c1cnc2ncnn2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 8/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.45
CSNK1D P48730 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL10658769 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL9490199 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL9679476 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL9770307 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL9770312 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL3615280 0.77 NPC1 (0.49) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL9677260 0.76 ALDH1A1 (0.55) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL2802194 0.76 KDM4E (0.55) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL2801191 0.76 KDM4E (0.66) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL9678739 0.75 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9AL3MBTL1

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
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed