Anthraquinone

Anthraquinone

SCHEMBL11174875

C1=CNOC=C1.O=C1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CDC25B P30305 2/20 0.48
RAB9A P51151 5/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
APAF1 O14727 3/20 0.41
NPC1 O15118 3/20 0.41
MAOA P21397 3/20 0.41
BLM P54132 2/20 0.41
TDP2 O95551 2/20 0.41
CES2 O00748 1/20 0.41
TERT O14746 1/20 0.41
PLIN1 O60240 1/20 0.41
S1PR4 O95977 1/20 0.41
PLA2G1B P04054 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
SCHEMBL7529926 0.82 MEN1 (0.32) MEN1KMT2ACDC25B
Naphthalene SCHEMBL18138378 0.79 CYP2A6 (0.38)
Biphenyl SCHEMBL29148835 0.77 ALDH1A1 (0.41) RAB9ASMN1; SMN2MAPK1NPC1CYP3A4
Naphthalene SCHEMBL28549809 0.77 CYP2A6 (0.36) CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL11403484 0.76 SLC6A2 (0.39) KMT2ARAB9AALDH1A1MTORTSHR
SCHEMBL28175512 0.75 GAA (0.34) MAPT
Anthracene SCHEMBL27896746 0.75 ALDH1A1 (0.32) MEN1KMT2ARAB9AMAPTKDM4E
Benzene SCHEMBL11898209 0.75
SCHEMBL15080 0.75
SCHEMBL8396732 0.75

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-4390342-A Process for the preparation of solid composition of water-soluble dyes CIBA-GEIGY CORPORATION (US) 1983-06-28 US disclosed