SCHEMBL24424092

SCHEMBL24424092

CN1CCC(C(=O)NCc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ KDR P35968 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ DDR2 Q16832 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ERCC1 P07992 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL24424559 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDALOX15LMNA
SCHEMBL24424693 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HPGDALOX15LMNA
SCHEMBL5413096 0.77 MAPK1 (0.60) KDM4EALDH1A1HPGDALOX15MEN1
SCHEMBL5417289 0.77 ROCK2 (0.51) ALDH1A1LMNATP53MAPK1ROCK2
SCHEMBL25090838 0.76 MAPT (0.60) KDM4EALDH1A1HPGDALOX15LMNA
SCHEMBL18078939 0.74 MAPK1 (0.60) KDM4EALDH1A1HPGDKDRMAPK1
SCHEMBL12993901 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL8372164 0.74 MEN1 (0.61) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL25090827 0.73 KLKB1 (0.47) KDM4EALDH1A1HPGDALOX15LMNA
SCHEMBL24424717 0.73 CHRNA7 (0.51) KDM4EALDH1A1HPGDALOX15LMNA

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
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
Send feedback