SCHEMBL11244551

SCHEMBL11244551

O=C(O)Cc1ccc2c(c1)sc1ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL11243330 0.84 SLC22A12 (0.45) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11246646 0.84 CA2 (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11237206 0.82 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11246422 0.82 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11240017 0.82 KEAP1 (0.51) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11241107 0.82 PSEN1 (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11232390 0.81 AKR1B1 (0.53) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11242928 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
Methane SCHEMBL11235653 0.81 KEAP1 (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT
Methane SCHEMBL11248449 0.80 AKR1B1 (0.51) KDM4EHPGDHSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed