SCHEMBL10464237

SCHEMBL10464237

CCOC(=O)c1cc2ccc3ccccc3c2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 5/20 0.62
RAB9A P51151 5/20 0.62
HPGD P15428 4/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 4/20 0.62
NPC1 O15118 3/20 0.62
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
ATM Q13315 2/20 0.62
GLA P06280 2/20 0.62
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL9779509 0.93 CDK1 (0.67) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL9779094 0.89 ALDH1A1 (0.67) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL8985899 0.84 ALDH1A1 (0.67) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL22939050 0.83 KMT2A (0.62) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL4040141 0.82 KDM4E (0.61) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL31501839 0.82 KDM4E (0.61) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL10779982 0.82 CDK1 (0.57) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL6518295 0.82 KDM4E (0.64) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL5685113 0.82 CDK1 (0.59) CDK1CCNB1KDM4EALDH1A1KMT2A
SCHEMBL3598543 0.81 MMP13 (0.54) CDK1CCNB1KDM4EALDH1A1KMT2A

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-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 US disclosed
US-4889937-A MEDICINES, PESTICIDES AND INDUSTRIAL CHEMICALS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-12-26 US disclosed