SCHEMBL27961407

SCHEMBL27961407

O=C(O)Nc1ccc(CCO[SH](=O)=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ P4HTM Q9NXG6 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ DDX3X O00571 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL16246131 0.79 TRPV1 (0.39) PABPC1KMT2AMEN1MAPTKDM4E
SCHEMBL16246243 0.77 DDX3X (0.38) KMT2AMEN1MAPTKDM4EP4HTM
SCHEMBL20607583 0.76 AR (0.35) KMT2AMEN1MAPTKDM4EP4HTM
SCHEMBL1900631 0.75 PDE7A (0.41) PABPC1KMT2AMEN1MAPTKDM4E
SCHEMBL16881120 0.73 P4HTM (0.39) PABPC1NPSR1KMT2AMEN1MAPT
SCHEMBL17784989 0.72 TRPV1 (0.43) KMT2AMEN1MAPTKDM4EP4HTM
SCHEMBL16423725 0.71 NAMPT (0.39) LMNAKMT2AMEN1MAPTKDM4E
SCHEMBL17785022 0.70 DGAT1 (0.40) PABPC1LMNANPSR1KMT2AMEN1
SCHEMBL27961472 0.69 PDCD1 (0.42) PABPC1KMT2AMEN1MAPTKDM4E
SCHEMBL28292574 0.69 P4HTM (0.41) PABPC1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842357-A Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH 2014-06-04 — — CN disclosed
Send feedback