SCHEMBL7747485

SCHEMBL7747485

O=c1[nH]cccc1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RET P07949 1/20 0.41
DAO P14920 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ADORA1 P30542 2/20 0.40
TMIGD3 P0DMS9 1/20 0.40
KDM4E B2RXH2 4/20 0.39
RECQL P46063 3/20 0.39
BLM P54132 3/20 0.39
GLA P06280 2/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 2/20 0.39
GBA1 P04062 1/20 0.39
MAOB P27338 1/20 0.38
CYP1A1 P04798 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL2101505 0.76 AURKA (0.56) MEN1KMT2AALDH1A1RETDAO
SCHEMBL1529975 0.71 MEN1 (0.47) MEN1KMT2AALDH1A1RETADORA1
SCHEMBL3702192 0.71 KDM4E (0.43) MEN1KMT2AALDH1A1ADORA1TMIGD3
SCHEMBL23611453 0.71 ADORA1 (0.44) MEN1KMT2AALDH1A1ADORA1TMIGD3
SCHEMBL4629034 0.70 ALDH1A1 (0.53) MEN1KMT2AALDH1A1ADORA1TMIGD3
SCHEMBL26259566 0.68 POLB (0.48) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL5576869 0.67 MAOB (0.54) MEN1KMT2AALDH1A1DAOKDM4E
SCHEMBL6685703 0.67 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL149989 0.67 MAPT (0.57) ALDH1A1DAOAURKAAURKBINCENP
SCHEMBL20940147 0.67 DAO (0.38) ALDH1A1DAOAURKAAURKBINCENP

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-6172006-B1 CONTROLLING PLANT PATHOGENIC FUNGI NOVO NORDISKALS (DK) 2001-01-09 US disclosed