SCHEMBL9046545

SCHEMBL9046545

O=C(O)c1cc(=O)c2cc(F)c(F)cc2n1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSP90AA1 P07900 2/20 0.38
MGLL Q99685 1/20 0.37
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 1/20 0.35
PKM P14618 1/20 0.35
HPD P32754 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
APLNR P35414 1/20 0.34
CTSA P10619 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
SCHEMBL9046534 0.89 NOTUM (0.41) NOTUMKDM4ESMN1; SMN2POLBMEN1
SCHEMBL9046000 0.86 KDM4E (0.43) NOTUMKDM4ESMN1; SMN2POLBMEN1
SCHEMBL9044837 0.77 GLA (0.40) NOTUMKDM4ESMN1; SMN2MEN1KMT2A
Bicarbonate SCHEMBL9046548 0.75 PTGS1 (0.43) NOTUMKDM4ESMN1; SMN2POLBMEN1
SCHEMBL7123595 0.70 ALDH1A1 (0.41) NOTUMKDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL12984605 0.69 ALDH1A1 (0.63) KDM4EPOLBMEN1KMT2AHSD17B10
Bicarbonate SCHEMBL9046542 0.67 PTGS1 (0.41) NOTUMPOLBMEN1KMT2APTGS1
SCHEMBL13802514 0.65 ALDH1A1 (0.56) KDM4EPOLBMAPTHSD17B10ALDH1A1
SCHEMBL11625313 0.65 NOTUM (0.67) NOTUMKDM4ESMN1; SMN2POLBMEN1
SCHEMBL5824022 0.65 HPGD (0.41) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10

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