SCHEMBL9749753

SCHEMBL9749753

CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
EPHA2 P29317 1/20 0.49
FLT4 P35916 1/20 0.49
GSK3B P49841 1/20 0.49
RARB P10826 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 5/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
DRD3 P35462 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
SCHEMBL9749760 1.00 LMNA (0.53) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9748366 0.91 LMNA (0.66) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9749223 0.91 LMNA (0.66) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL10370052 0.89 LMNA (0.41) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9784901 0.88 EPHA2 (0.47) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9466728 0.86 LMNA (0.44) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9784895 0.85 TOP1 (0.46) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9460824 0.84 LMNA (0.49) LMNAKMT2AMEN1EPHA2FLT4
Water SCHEMBL9784852 0.83 LMNA (0.49) LMNAKMT2AMEN1EPHA2FLT4
SCHEMBL9784885 0.83 LMNA (0.43) LMNAKMT2AMEN1EPHA2FLT4

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
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed