SCHEMBL9838009

SCHEMBL9838009

Cc1nc(Cl)c(C#N)c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
HTT P42858 6/20 0.63
GLA P06280 1/20 0.63
ALDH1A1 P00352 10/20 0.60
L3MBTL1 Q9Y468 5/20 0.56
MAPK1 P28482 2/20 0.56
NSD2 O96028 1/20 0.56
POLB P06746 3/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
APOBEC3G Q9HC16 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL31647438 1.00 KDM4E (1.00) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL22312042 0.96 KDM4E (0.93) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL31350749 0.96 KDM4E (0.93) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL13329206 0.82 KDM4E (0.70) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL19734933 0.81 KDM4E (0.69) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL13329207 0.81 KDM4E (0.68) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL13329199 0.79 KDM4E (0.65) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL6255063 0.78 KDM4E (0.64) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL4048718 0.77 KDM4E (0.62) KDM4EHTTGLAALDH1A1L3MBTL1
SCHEMBL31647935 0.77 KDM4E (0.62) KDM4EHTTGLAALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134366-A1 3-AZABICYCLOALKYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Lg Chem, Ltd. (KR) 2023-02-15 EP disclosed
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 EP disclosed
US-4680400-A Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives ICI AUSTRALIA LIMITED (AU) 1987-07-14 US disclosed
US-4640708-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-03 US disclosed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP disclosed