SCHEMBL18948924

SCHEMBL18948924

CC(C)=CSn1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
KEAP1 Q14145 1/20 0.46
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CYP4Z1 Q86W10 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
GAA P10253 5/20 0.41
MGAM O43451 4/20 0.41
AMY1A P0DUB6 4/20 0.41
SI P14410 4/20 0.41
MGAM2 Q2M2H8 4/20 0.41
F2 P00734 2/20 0.41

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
SCHEMBL1106812 0.74 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL11051725 0.74 SLC9A1 (0.54) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL17490282 0.71 SLC9A1 (0.50) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL15199802 0.70 SLC9A1 (0.56) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL25645559 0.69 SLC9A1 (0.50) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL4779214 0.68 SLC9A1 (0.47) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL19496157 0.67 DGAT1 (0.59) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL17987937 0.67 DGAT1 (0.59) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL3263001 0.67 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
Hydroxyl Radical SCHEMBL28222888 0.66 POLB (0.95) SLC9A1POLBMAPK1ATMKEAP1

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
US-9677127-B2 Method of detecting gene mutation SEKISUI MEDICAL CO., LTD. (JP) 2017-06-13 US disclosed