SCHEMBL28254347

SCHEMBL28254347

CS(=O)(=O)N1CCC(c2ccncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ CYP11B2 P19099 4/20 0.43
▸ CYP11B1 P15538 3/20 0.43
▸ KDM5A P29375 1/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL18965247 0.79 MAPK14 (0.48) MAPK11MAPK14KDM5AGSK3B
SCHEMBL20772280 0.78 TP53 (0.70) LMNAHTTTP53
SCHEMBL2100499 0.78 TP53 (0.60) MAPK11MAPK14CYP2C19CYP1A2CYP2D6
SCHEMBL28257968 0.77 IDO1 (0.43) MAPK11MAPK14LMNAHTTMAPK1
SCHEMBL5173417 0.76 — —
SCHEMBL29597773 0.76 — —
SCHEMBL19658655 0.76 MAPK11 (0.53) MAPK11MAPK14KDM5ATSHRGSK3B
SCHEMBL28254346 0.73 PRCP (0.40) MAPK11MAPK14KDM5A
SCHEMBL5172903 0.73 MAP4K4 (0.43) CYP11B2KDM5ACYP2C19CYP1A2CYP2D6
SCHEMBL3200493 0.73 CAMKK2 (0.44) CYP11B2KDM5ACYP2C19CYP1A2CYP2D6

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-105473576-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2018-10-30 — — CN disclosed
Send feedback