SCHEMBL28675605

SCHEMBL28675605

N#Cc1cc(Br)cc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 4/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
POLB P06746 1/20 0.58
KDM4E B2RXH2 6/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 5/20 0.50
ADRB2 P07550 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 4/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47

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
SCHEMBL27901846 0.81 KDM4E (0.58) SMN1; SMN2HPGDKMT2AMEN1GLA
SCHEMBL14951425 0.80 MEN1 (0.56) SMN1; SMN2HPGDKMT2AMEN1POLB
SCHEMBL18192027 0.77 AGTR1 (0.55) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL30609019 0.77 AGTR1 (0.55) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL28928751 0.76 MEN1 (0.35) SMN1; SMN2HPGDKMT2AMEN1GLA
SCHEMBL22065910 0.76 KDM4E (0.52) SMN1; SMN2HPGDKMT2AMEN1GLA
SCHEMBL603975 0.75 KDM4E (0.59) SMN1; SMN2HPGDKMT2AMEN1GLA
SCHEMBL22064956 0.75 KDM4E (0.67) SMN1; SMN2HPGDKMT2AMEN1GLA
SCHEMBL28108912 0.75 AGTR1 (0.49) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL16125570 0.74 RAD51 (0.37) SMN1; SMN2HPGDKMT2AMEN1GLA

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
CN-113024534-B 2-pyridylthiazole derivatives and use thereof 武汉光谷亚太医药研究院有限公司 2023-03-21 CN disclosed
CN-113024534-A 2-pyridylthiazole derivatives and use thereof 武汉光谷亚太医药研究院有限公司 2021-06-25 CN disclosed