SCHEMBL9679665

SCHEMBL9679665

CCOC(=O)c1cc(S)n2cnnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
MAPK1 P28482 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL9679460 0.85 CYP1A2 (0.43) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9869606 0.84 GAA (0.42) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9679620 0.77 CYP1A2 (0.43) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9679660 0.75 ALDH1A1 (0.48) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9677293 0.73 ALDH1A1 (0.49) CYP1A2ALDH1A1KDM4EHPGDMAPT
SCHEMBL10164360 0.71 KDM4E (0.54) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL8777749 0.71 KDM4E (0.67) KDM4ESMN1; SMN2GAAPOLBMAPT
SCHEMBL9677299 0.70 KDM4E (0.44) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL4921460 0.70 CYP1A2 (0.59) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL862340 0.67 CYP1A2 (0.66) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2

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