SCHEMBL23914150

SCHEMBL23914150

Cc1ccc2c3c([nH]c2c1)CCC=C3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
RXFP1 Q9HBX9 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 4/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
ITK Q08881 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33

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
SCHEMBL25618442 0.87 L3MBTL1 (0.48) KIF11RXFP1L3MBTL1ACHEGRIN1
SCHEMBL27333811 0.81 KIF11 (0.47) KIF11MAPT
SCHEMBL22311785 0.81 KDM4E (0.39) RXFP1GRIN2BMAPT
SCHEMBL19904862 0.80 MAPK10 (0.40) ITK
SCHEMBL21944108 0.78 LDHA (0.33) L3MBTL1MAPT
SCHEMBL454277 0.76 HTR2A (0.43) ACHE
SCHEMBL15583456 0.75 FEN1 (0.42) MAPT
SCHEMBL21474736 0.74 KDM4E (0.35) L3MBTL1GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL22474355 0.71 BAZ2B (0.40) KIF11BAZ2B
SCHEMBL10748991 0.71 KIF11 (0.42) KIF11RXFP1L3MBTL1ACHEGRIN1

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
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed