SCHEMBL24784935

SCHEMBL24784935

NC(=O)C1CN(I)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLI1 P08151 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ FPR2 P25090 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ GRIN2D O15399 2/20 0.31
▸ GRIN3B O60391 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GRIN2C Q14957 2/20 0.31
▸ GRIN3A Q8TCU5 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL24785151 0.82 MAPT (0.50) MAPTGRIN2DGRIN3BTHRBGRIN1
SCHEMBL23459089 0.79 GLI1 (0.36) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL28232398 0.76 MAPT (0.38) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL14754500 0.76 CCR2 (0.39) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL14754502 0.76 CCR2 (0.39) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL2916377 0.76 CCR2 (0.39) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL7397131 0.76 SCN9A (0.34) GLI1MAPTFPR2SCN9ANOS3
SCHEMBL5695525 0.76 CCR2 (0.42) GLI1MAPTFPR2SCN9A
SCHEMBL18806175 0.76 CCR2 (0.42) GLI1MAPTFPR2SCN9A
SCHEMBL18820343 0.76 CCR2 (0.42) GLI1MAPTFPR2SCN9A

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
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 — — WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 — — WO disclosed
Send feedback