SCHEMBL5188558

SCHEMBL5188558

O=C(Nc1ccc(C(=O)O)cc1)Nc1ccccc1Br

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.78
HTT P42858 5/20 0.78
NPC1 O15118 5/20 0.78
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
LMNA P02545 2/20 0.78
POLB P06746 1/20 0.64
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GRIK1 P39086 1/20 0.54
MAPT P10636 4/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51
EPHX2 P34913 2/20 0.51
NR1H4 Q96RI1 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
SCHEMBL8746726 0.88 MEN1 (1.00) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL7896679 0.84 RAB9A (0.59) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL7254811 0.83 RAB9A (0.71) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL1019968 0.82 EPHX2 (0.74) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL13235126 0.82 HTT (0.81) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL8497569 0.82 POLB (0.66) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL6799221 0.81 RAB9A (0.73) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL1514777 0.81 NPC1 (0.73) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL7545396 0.81 MEN1 (0.62) RAB9AHTTNPC1MEN1KMT2A
SCHEMBL4745756 0.80 EPHX2 (0.71) RAB9ANPC1MEN1KMT2APOLB

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-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP disclosed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO disclosed