SCHEMBL8089979

SCHEMBL8089979

COc1ccc(COc2ccc(C(=O)CSc3ccnc4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPT P10636 8/20 0.50
ALDH1A1 P00352 8/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 4/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8090035 0.91 SMN1; SMN2 (0.54) CYP1A2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL8076747 0.89 CYP1A2 (0.55) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8076711 0.88 MAPT (0.51) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8084665 0.88 CYP1A2 (0.57) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8084754 0.85 CYP1A2 (0.49) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8084106 0.81 NPC1 (0.50) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8084757 0.81 ALDH1A1 (0.49) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8088268 0.81 HSD17B10 (0.50) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL8084075 0.80 NR4A2 (0.52) CYP1A2SMN1; SMN2
SCHEMBL8089846 0.78 ALDH1A1 (0.53) CYP1A2MAPTALDH1A1NPC1RAB9A

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed