SCHEMBL10602111

SCHEMBL10602111

O=c1oc2ccccc2c(F)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
PGAM1 P18669 1/20 0.47
MAOA P21397 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL15842670 0.82 ALDH1A1 (0.53) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL5472418 0.82 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL6810404 0.77 GAA (0.69) HSD17B10ALDH1A1KDM4EGAAMAPT
SCHEMBL27947283 0.77 KDM4E (0.62) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL669540 0.77 KDM4E (0.62) HSD17B10ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22780916 0.77 KDM4E (0.58) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL28053823 0.74 CA1 (0.51) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL4970512 0.74 CA1 (0.51) HSD17B10ALDH1A1KDM4EGAACYP3A4
SCHEMBL6810405 0.73 GAA (0.69) HSD17B10ALDH1A1KDM4EGAAMAPT
SCHEMBL669541 0.73 KDM4E (0.58) HSD17B10ALDH1A1KDM4EGAACYP3A4

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-0185319-B1 FLUORO COUMARINS AS ANTILYMPHOEDEMA AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-09-06 EP disclosed
US-4749798-A ANTIINFLAMMATORY, ANTISWELLING BOEHRINGER BIOCHEMIA ROBIN SPA (IT) 1988-06-07 US disclosed
EP-0185319-A2 Fluoro coumarins as antilymphoedema agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-06-25 EP disclosed