SCHEMBL6230094

SCHEMBL6230094

COc1cc2c(O)csc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOB P27338 1/20 0.39
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
CDK5 Q00535 1/20 0.38
RIN1 Q13671 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
GFER P55789 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL1609700 0.84 MAOB (0.36) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL20557260 0.80 AR (0.44) ALDH1A1MAPTHSD17B10KDM4ESTING1
SCHEMBL5858564 0.77 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10
SCHEMBL8840801 0.74 MAOB (0.52) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL17133045 0.74 MAOB (0.52) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL8840857 0.72 MAOB (0.50) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL8840816 0.72 MAOB (0.50) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL17546677 0.72 MAOB (0.50) ALDH1A1MAPTHSD17B10MAOBGAA
SCHEMBL28462880 0.72 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10GAARECQL
SCHEMBL69624 0.71 MAOB (0.59) ALDH1A1MAPTHSD17B10MAOBRECQL

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-1299073-B1 AGENTS FOR COLOURING KERATIN FIBRES, CONTAINING DERIVATIVES OF BENZO(B)FURANE-3-ONE AND/OR BENZO(B)THIOPHENE-3-ONE HENKEL KGAA (DE) 2005-04-20 EP disclosed
EP-1317243-B1 HAIR DYEING AGENTS CONTAINING INDIGO DERIVATIVES HENKEL KGAA (DE) 2004-11-24 EP disclosed