SCHEMBL7461128

SCHEMBL7461128

Cc1nn(CCOc2ccc(C=O)cc2)c(=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL7461907 0.86 PKM (0.55) PKMHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7461773 0.85 PKM (0.54) PKMHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7456859 0.83 PKM (0.52) PKMNPC1RAB9AMITFLMNA
SCHEMBL7462408 0.82 PIM1 (0.56) HPGDPOLB
SCHEMBL7462410 0.82 PIM1 (0.56) HPGDPOLB
SCHEMBL6953753 0.81 PKM (0.53) PKMHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6953750 0.81 PKM (0.53) PKMHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5380567 0.78 RAB9A (0.77) PKMNPC1RAB9ASMN1; SMN2MITF
SCHEMBL5935593 0.76 MEN1 (0.55) HPGDSMN1; SMN2LMNAKMT2AMAPT
SCHEMBL8158054 0.75 PKM (0.53) PKMHPGDNPC1RAB9ASMN1; SMN2

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
EP-0971917-B1 THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE DERIVATIVES HAVING ANTIDIABETIC, HYPOLIPIDAEMIC AND ANTIHYPERTENSIVE PROPERTIES REDDY RESEARCH FOUNDATION (IN) 2002-02-06 EP disclosed
US-6011036-A Heterocyclic compounds having antidiabetic hypolipidemic antihypertensive properties process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-01-04 US disclosed