SCHEMBL1123450

SCHEMBL1123450

O=C(Nc1[c]c(OCc2ccccc2)ccc1)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.59
NR1H4 Q96RI1 4/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NR4A2 P43354 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 1/20 0.52
GPR132 Q9UNW8 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL1122980 0.91 NR1H4 (0.56) SMPD1NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL5720726 0.90 RAB9A (0.60) NR1H4MEN1KMT2ANR4A2SMN1; SMN2
SCHEMBL5936672 0.85 SMPD1 (0.60) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL5936675 0.80 NR1H4 (0.67) SMPD1NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL5936634 0.80 SMPD1 (0.62) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL5936596 0.79 NPC1 (0.57) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL5936598 0.79 NR1H4 (0.55) SMPD1NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL28760308 0.78 CTSV (0.50) MEN1KMT2AMAOB
SCHEMBL13702365 0.77 SMPD1 (0.76) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL1123155 0.76 NR4A2 (0.91) NR1H4MEN1KMT2ANR4A2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed