SCHEMBL9750291

SCHEMBL9750291

COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC3CN4)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43

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
SCHEMBL9670775 0.86 KDM4E (0.64) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9837350 0.86 KDM4E (0.61) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9749427 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9684993 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9749228 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9866284 0.82 KDM4E (0.61) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9748119 0.82 KDM4E (0.44) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL5082685 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9749739 0.81 LMNA (0.60) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL9747974 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGDLMNA

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-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed