SCHEMBL28255291

SCHEMBL28255291

Oc1cccnc1Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL9752017 0.78 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM4ETSHRCYP2C19
SCHEMBL1973913 0.78 KDM4E (0.68) L3MBTL1ALDH1A1KDM4ECYP2C19HIF1A
SCHEMBL2750237 0.78 HSPA5 (0.58) L3MBTL1ALDH1A1HRH3HRH1HRH4
SCHEMBL3182050 0.77 TSHR (0.45) L3MBTL1ALDH1A1TSHRHRH3HRH1
Hydrochloric Acid SCHEMBL31388648 0.77 KDM4E (0.71) L3MBTL1ALDH1A1KDM4ETSHRCYP2C19
SCHEMBL29830938 0.76 L3MBTL1 (0.59) L3MBTL1ALDH1A1TSHRHRH3HRH1
SCHEMBL41191 0.76 L3MBTL1 (0.59) L3MBTL1ALDH1A1TSHRHRH3HRH1
SCHEMBL27808570 0.74 ALDH1A1 (0.44) L3MBTL1ALDH1A1HRH3HRH1HRH4
SCHEMBL6378764 0.74 ADRA1D (0.47) L3MBTL1ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31659786 0.74 ADRA1D (0.47) L3MBTL1ALDH1A1KDM4ETSHRHSD17B10

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-105324379-B Benzimidazole derivatives as bromodomain inhibitors 吉利德科学公司 2018-12-04 CN disclosed