SCHEMBL8545773

SCHEMBL8545773

COc1cc(-c2cc(CBr)nc(CBr)c2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ERN1 O75460 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
ABCB1 P08183 1/20 0.45
CSF1R P07333 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
SCHEMBL8545077 0.87 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL12303132 0.82 KDM4E (0.60) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8546271 0.81 MEN1 (0.48) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8545841 0.79 MCL1 (0.56) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3232932 0.78 MEN1 (0.64) ALDH1A1KDM4EHSD17B10LMNANPC1
SCHEMBL31388315 0.78 MEN1 (0.64) ALDH1A1KDM4EHSD17B10LMNANPC1
Hydrochloric Acid SCHEMBL8551040 0.78 MCL1 (0.55) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL17243832 0.77 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL21003759 0.77 NPC1 (0.56) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8551031 0.77 NPC1 (0.53) TSHRALDH1A1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
EP-0525825-A2 Substituted dicarboxy pyridine compounds Dade MicroScan Inc. (US) 1993-02-03 EP disclosed
US-4761481-A FLUORESCENT CHELATES, AMINE ACID COMPOUNDS BAXTER TRAVENOL LABORATORIES, INC. (US) 1988-08-02 US disclosed
EP-0195413-A2 Substituted pyridine derivatives Baxter Diagnostics Inc. (US) 1986-09-24 EP disclosed