SCHEMBL14743409

SCHEMBL14743409

O=C(CNc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CETP P11597 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
F12 P00748 1/20 0.40
MGLL Q99685 1/20 0.39
GRIN1 Q05586 1/20 0.39
GPR17 Q13304 1/20 0.39

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
SCHEMBL14743611 0.89 MAPT (0.55) OPRK1MEN1RAB9AKMT2AMAPT
SCHEMBL14744312 0.88 NOTUM (0.51) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14744301 0.84 AGTR1 (0.49) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14743051 0.84 ALDH1A1 (0.48) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14743695 0.83 RAB9A (0.54) MEN1RAB9AKMT2AMAPTLMNA
SCHEMBL14743792 0.79 KMT2A (0.48) MEN1RAB9AKMT2AALDH1A1NPC1
SCHEMBL14743310 0.78 MEN1 (0.52) MEN1RAB9AKMT2AALDH1A1LMNA
SCHEMBL14743400 0.78 KMT2A (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2635701 0.78 MEN1 (0.60) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14743705 0.77 MEN1 (0.51) MEN1RAB9AKMT2AMAPTNPC1

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
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO claimed
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed