SCHEMBL10459451

SCHEMBL10459451

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(C)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
HSD17B10 Q99714 5/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 5/20 0.65
LMNA P02545 3/20 0.65
BRD4 O60885 1/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.65
CYP2J2 P51589 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
PMP22 Q01453 1/20 0.64
CYP2C9 P11712 2/20 0.63
ATP6V1B2 P21281 1/20 0.63
TBXA2R P21731 1/20 0.63
EDNRA P25101 1/20 0.63
TARBP2 Q15633 1/20 0.63
TOP2A P11388 5/20 0.51
TOP2B Q02880 4/20 0.51
KCNH2 Q12809 2/20 0.50
TOP1 P11387 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
SCHEMBL312379 0.92 KDM4E (0.76) KDM4EHSD17B10ALDH1A1HPGDLMNA
Water SCHEMBL10765060 0.91 KDM4E (0.75) KDM4EHSD17B10ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10743594 0.91 KDM4E (0.77) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10769533 0.90 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10765880 0.89 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10765706 0.88 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10768278 0.88 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10764169 0.88 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10401471 0.88 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL11022192 0.88 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP claimed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed