SCHEMBL1122980

SCHEMBL1122980

O=C(Nc1[c]c(OCc2ccccc2)ccc1)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
CASP3 P42574 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
SPHK2 Q9NRA0 3/20 0.51
FFAR1 O14842 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMPD1 P17405 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL5720726 0.94 RAB9A (0.60) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL1123450 0.91 SMPD1 (0.59) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL5936596 0.88 NPC1 (0.57) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL5936598 0.88 NR1H4 (0.55) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL5936634 0.77 SMPD1 (0.62) NR1H4RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1123461 0.76 NR4A2 (0.81) RAB9AMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL5936672 0.76 SMPD1 (0.60) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL28760308 0.75 CTSV (0.50) MEN1KMT2AFFAR1SIRT2LMNA
SCHEMBL27330799 0.74 MGLL (0.50) NPC1RAB9ASMN1; SMN2CASP3ALDH1A1
SCHEMBL1122731 0.74 SMN1; SMN2 (0.64) NPC1RAB9AMEN1KMT2ASMN1; 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