SCHEMBL9680271

SCHEMBL9680271

CCOC(=O)c1cnc2nc(S)nn2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 6/20 0.52
MAPT P10636 2/20 0.52
CSNK1D P48730 6/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9678488 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL9678721 0.79 KDM4E (0.43) ALDH1A1KDM4EMAPTCSNK1DKMT2A
SCHEMBL10983135 0.78 CSNK1D (0.65) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL9490199 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL22147584 0.74 NPC1 (0.56) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL13255464 0.73 CYP1A2 (0.54) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL3992677 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL9679511 0.71 KDM4E (0.47) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL27875880 0.71 RAB9A (0.53) ALDH1A1KDM4EMAPTCSNK1DMEN1
SCHEMBL19492633 0.71 KDM4E (0.53) ALDH1A1KDM4EMAPTCSNK1DMEN1

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
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
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