SCHEMBL9044266

SCHEMBL9044266

O=C(O)c1cc(=O)c2ccc(F)cc2n1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAT2A P31153 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.38
MPI P34949 1/20 0.37
LMNA P02545 1/20 0.37
RORC P51449 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
POLB P06746 1/20 0.35
CCR3 P51677 1/20 0.35
USP14 P54578 1/20 0.35
CCR2 P41597 1/20 0.34

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
SCHEMBL9046000 0.83 KDM4E (0.43) NOTUMALDH1A1TSHRMAT2AKDM4E
SCHEMBL9044837 0.83 GLA (0.40) NOTUMALDH1A1MAT2AKDM4EHPGD
SCHEMBL12984605 0.75 ALDH1A1 (0.63) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9564460 0.73 LMNA (0.49) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9149430 0.73 ALDH1A1 (0.79) TDP1NOTUMALDH1A1TSHRKDM4E
Bicarbonate SCHEMBL9044272 0.72 RORC (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL18919810 0.71 ALDH1A1 (0.50) TDP1NOTUMALDH1A1TSHRKDM4E
SCHEMBL26596771 0.68 ATM (0.58) ALDH1A1MAT2AKDM4EMPIL3MBTL1
SCHEMBL14575529 0.67 MAPK8 (0.51) NOTUMMAT2AMAPK8MAPK9
SCHEMBL27758760 0.67 ALDH1A1 (0.56) TDP1NOTUMALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
US-5300643-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5217972-A QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed