SCHEMBL9260339

SCHEMBL9260339

CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
DRD3 P35462 1/20 0.66
KDM4E B2RXH2 7/20 0.63
LMNA P02545 4/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.59
TOP2A P11388 1/20 0.59
CYP2C9 P11712 1/20 0.59
TOP2B Q02880 1/20 0.59
GAA P10253 1/20 0.52
RAD52 P43351 1/20 0.52
BRD4 O60885 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
CYP2J2 P51589 1/20 0.52

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
SCHEMBL9260344 1.00 ALDH1A1 (0.66) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL10366509 0.88 ALDH1A1 (0.77) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL10366511 0.88 ALDH1A1 (0.77) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL29576608 0.87 ALDH1A1 (0.81) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL2780752 0.87 ALDH1A1 (0.81) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL10364559 0.87 ALDH1A1 (0.52) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL9097732 0.86 ALDH1A1 (0.52) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL9097739 0.86 ALDH1A1 (0.52) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL9265472 0.84 ALDH1A1 (0.70) ALDH1A1DRD3KDM4ELMNAMEN1
SCHEMBL9268053 0.84 ALDH1A1 (0.67) ALDH1A1DRD3KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191185-B1 QUINOLINE-CARBOXYLIC ACID DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1990-03-07 EP claimed
US-4871852-A BACTERICIDES AGAINST GRAMNEGATIVE AND GRAMPOSITIVE DAIICHI SEIYAKU CO., LTD. (JP) 1989-10-03 US claimed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP claimed
JP-62012760-A None JP disclosed
JP-7316104-A None JP disclosed
JP-H07316104-A 1-AMINO-2-FLUOROCYCLOPROPANE DAI ICHI SEIYAKU CO LTD 1995-12-05 JP disclosed
EP-0191185-B1 QUINOLINE-CARBOXYLIC ACID DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1990-03-07 EP disclosed
US-4871852-A BACTERICIDES AGAINST GRAMNEGATIVE AND GRAMPOSITIVE DAIICHI SEIYAKU CO., LTD. (JP) 1989-10-03 US disclosed
JP-S6212760-A 1-(2-HALOGENOCYCLOPROPYL)QUINOLINECARBOXYLIC ACID DERIVATIVE DAI ICHI SEIYAKU CO LTD 1987-01-21 JP disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed