SCHEMBL10375142

SCHEMBL10375142

O=C(O)c1cn(-c2ccccc2)c2c(F)c(N3CCCNCC3)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
HSD17B10 Q99714 6/20 0.65
TOP2A P11388 7/20 0.59
TOP2B Q02880 5/20 0.59
KDM4E B2RXH2 10/20 0.55
ALDH1A1 P00352 7/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TOP1 P11387 2/20 0.54
LMNA P02545 5/20 0.53
PMP22 Q01453 1/20 0.49
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 2/20 0.45
ATP6V1B2 P21281 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL9088225 0.96 HPGD (0.64) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10372535 0.93 KDM4E (0.62) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10372207 0.93 HPGD (0.56) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10374981 0.91 HPGD (0.75) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10374985 0.90 HPGD (0.74) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL9870203 0.89 KDM4E (0.66) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10915435 0.88 KDM4E (0.57) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL10372760 0.88 KDM4E (0.57) HPGDHSD17B10TOP2ATOP2BKDM4E
Hydrochloric Acid SCHEMBL9869082 0.87 KDM4E (0.59) HPGDHSD17B10TOP2ATOP2BKDM4E
SCHEMBL9869882 0.86 TOP2A (0.61) HPGDHSD17B10TOP2ATOP2BKDM4E

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-0154780-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-04-11 EP disclosed
US-4774246-A 6,8-DIFLUORO-4-OXO-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1988-09-27 US disclosed
EP-0154780-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed