SCHEMBL9778795

SCHEMBL9778795

Clc1ccccc1COc1ccc(C2SCCCS2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
OPRD1 P41143 1/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9778680 0.95 MAOB (0.51) NR4A2MAOBMAOAOPRD1MAPT
SCHEMBL9778730 0.94 NR4A2 (0.52) NR4A2MAOBMAOAOPRD1MAPT
SCHEMBL9778526 0.86 SMN1; SMN2 (0.49) MAOBOPRD1MAPTMEN1KMT2A
SCHEMBL9778804 0.83 NR4A2 (0.52) NR4A2MAPTMEN1KMT2ANPSR1
SCHEMBL9778935 0.83 MAOB (0.50) MAOBOPRD1MAPTKMT2ALMNA
SCHEMBL7571981 0.81 MAOB (0.57) NR4A2MAOBMAOAMAPTTP53
SCHEMBL9778576 0.81 PARP10 (0.51) MAOBMAPTMEN1KMT2ANPSR1
SCHEMBL9778837 0.80 KCNH2 (0.52) MAOBMAPTKMT2ALMNAKDM4E
SCHEMBL9778786 0.79 SMN1; SMN2 (0.51) MAOBOPRD1MAPTMEN1KMT2A
SCHEMBL9778479 0.79 MAOB (0.56) MAOBMAOAMAPTGAARAB9A

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed