SCHEMBL9524445

SCHEMBL9524445

CN1C2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(-c5ccc(F)cc5F)c4c3F)CC21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.52
FLT4 P35916 1/20 0.52
GSK3B P49841 1/20 0.52
RARB P10826 1/20 0.52
TBXAS1 P24557 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
HSP90AA1 P07900 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
XBP1 P17861 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL9522676 0.89 EPHA2 (0.52) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9871193 0.86 KDM4E (0.64) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9870380 0.86 KDM4E (0.64) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL29080644 0.85 KDM4E (0.58) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL30626277 0.85 KDM4E (0.58) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9869658 0.84 KMT2A (0.69) KMT2AALDH1A1POLBTOP2ATOP1
Hydrochloric Acid SCHEMBL9690870 0.84 KDM4E (0.49) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9523159 0.84 EPHA2 (0.48) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9757213 0.83 HPGD (0.51) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9666805 0.83 KDM4E (0.51) EPHA2FLT4GSK3BRARBTBXAS1

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
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 WO disclosed