SCHEMBL8546271

SCHEMBL8546271

COC(=O)CN(CC(=O)OC)Cc1cc(-c2ccc(OCc3ccccc3)c(OC)c2)cc(CN(CC(=O)OC)CC(=O)OC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
ABCB1 P08183 1/20 0.46
APP P05067 3/20 0.45
USP2 O75604 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAF1 P04049 1/20 0.45
MAP2K1 Q02750 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 0.81 TSHR (0.53) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL8545773 0.81 TSHR (0.53) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7902881 0.79 LTB4R (0.44) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL8545841 0.78 MCL1 (0.56) NPC1RAB9AHPGDSMN1; SMN2CTSV
Hydrochloric Acid SCHEMBL8551040 0.77 MCL1 (0.55) NPC1RAB9AHPGDSMN1; SMN2CTSV
SCHEMBL8551031 0.76 NPC1 (0.53) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL12303132 0.74 KDM4E (0.60) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL4271285 0.73 KDM4E (0.52) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7908882 0.72 ALDH1A1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29066085 0.72 MTNR1A (0.62) MEN1KMT2ANPC1RAB9AHPGD

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