SCHEMBL29972759

SCHEMBL29972759

NC(=O)c1ccc2ccncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
LCK P06239 1/20 0.52
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
SARM1 Q6SZW1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
SIRT4 Q9Y6E7 1/20 0.48
HIPK2 Q9H2X6 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
RET P07949 1/20 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
SCHEMBL6648425 1.00 AR (0.55) ARLCKF7F3SARM1
SCHEMBL29522657 0.93 AR (0.62) ARLCKF7F3SARM1
SCHEMBL4280154 0.93 AR (0.62) ARLCKF7F3SARM1
SCHEMBL1403704 0.83 MRGPRX4 (0.56) LCKHIPK2KDRPRKCZSMYD3
SCHEMBL29488886 0.83 MRGPRX4 (0.56) LCKHIPK2KDRPRKCZSMYD3
SCHEMBL7447422 0.81 CYP2A6 (0.55) LCKHIPK2KDRPRKCZSMYD3
Hydrochloric Acid SCHEMBL29816771 0.81 MRGPRX4 (0.55) LCKHIPK2KDRPRKCZSMYD3
SCHEMBL30134313 0.81 CYP2A6 (0.55) LCKHIPK2KDRPRKCZSMYD3
SCHEMBL6984075 0.81 MRGPRX4 (0.55) LCKHIPK2KDRPRKCZSMYD3
Potassium SCHEMBL6984080 0.81 MRGPRX4 (0.55) LCKHIPK2KDRPRKCZSMYD3

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-114845778-A Dihydrocyclopentaisoquinoline sulfonamide derivative compound UCB生物制药有限责任公司 2022-08-02 CN disclosed