SCHEMBL8768565

SCHEMBL8768565

NC(=S)NCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
IDO1 P14902 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.50
SLC2A1 P11166 1/20 0.50
PTPN1 P18031 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S1PR1 P21453 1/20 0.48
FFAR1 O14842 1/20 0.48

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
SCHEMBL3421288 0.86 IDO1 (0.58) TAAR1KMT2AMEN1IDO1NPC1
SCHEMBL6804590 0.82 MTNR1A (0.59) TAAR1NPC1RAB9ADRD2DRD4
SCHEMBL525787 0.81 NPC1 (0.70) TAAR1KMT2AMEN1IDO1NPC1
SCHEMBL2163818 0.78 PRSS1 (0.51) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1542318 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1542610 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1542128 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1542411 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1541826 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1542045 0.77 PRMT1 (0.53) TAAR1KMT2AMEN1NPC1RAB9A

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed