SCHEMBL28347185

SCHEMBL28347185

COc1cccc2c1C=CC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL17014301 0.79 CA1 (0.39) POLLKDM4EALDH1A1MAPTHPGD
SCHEMBL15617597 0.77 KDM4E (0.37) POLLKDM4EALDH1A1MAPTHPGD
SCHEMBL27490762 0.76 POLL (0.41) POLLKDM4EALDH1A1MAPTHPGD
SCHEMBL29724650 0.74 CYP2D6 (0.31) KDM4EALDH1A1MAPTTP53CYP3A4
SCHEMBL8865571 0.74 SLC6A2 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7784914 0.72 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL3823837 0.72 DRD2 (0.43) TSHRMEN1KMT2AHTR1AHTR5A
Hydrochloric Acid SCHEMBL6554723 0.71 HTR2C (0.33) POLLKDM4EALDH1A1MAPTHPGD
SCHEMBL23360990 0.71 KDM1A (0.31) GAAMEN1KMT2A
SCHEMBL29118170 0.71 KDM1A (0.31) GAAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed