SCHEMBL21409682

SCHEMBL21409682

COc1ccc(-n2ncc(C(=O)c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
HTT P42858 4/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPBWR1 P48145 2/20 0.49
MALT1 Q9UDY8 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL21409674 0.89 MAPK14 (0.57) MAPK14HTTKDM4EGAAKMT2A
SCHEMBL21409620 0.84 MAPK14 (0.55) MAPK14HTTKDM4EGAAKMT2A
SCHEMBL21412873 0.78 RXFP1 (0.50) MAPK14HTTKDM4EHPGDKMT2A
SCHEMBL3495891 0.76 KEAP1 (0.61) MAPK14HTTKDM4EGAAKMT2A
SCHEMBL21409634 0.74 RAB9A (0.46) MAPK14HTTKDM4EHPGDKMT2A
SCHEMBL9186678 0.73 ALDH1A1 (0.48) HTTKDM4EGAAHPGDKMT2A
SCHEMBL2466074 0.72 HPGD (1.00) GAAHPGDKMT2AMEN1MAPT
SCHEMBL21409614 0.72 HTT (0.41) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10365375 0.71 PTPN1 (0.57) MAPK14HTTKDM4EKMT2ANPBWR1
SCHEMBL21409793 0.71 CNR1 (0.47) MAPK14MAPTALDH1A1LMNA

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-2019188456-A1 NOVEL ANTI-TUMOR AGENT 学校法人 川崎学園 2019-10-03 WO disclosed