SCHEMBL8627679

SCHEMBL8627679

c1ccc(-c2ccccc2Cc2ccco2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EED O75530 4/20 0.38
BRD4 O60885 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
PDE5A O76074 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL28546393 0.81 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL30038773 0.81 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2841431 0.77 DPP4 (0.65) DPP4ALDH1A1KMT2APDCD1CD274
SCHEMBL31387875 0.77 DPP4 (0.65) DPP4ALDH1A1KMT2APDCD1CD274
SCHEMBL7364036 0.75 MEN1 (0.38) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL17473821 0.73 KMT2A (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL11131843 0.73 HSPA5 (0.58) KMT2AMEN1MAPTTSHRMAPK1
SCHEMBL19662048 0.73 MEN1 (0.46) NPSR1KMT2AMEN1TSHRL3MBTL1
SCHEMBL6912345 0.73 GAA (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL17063499 0.73 ALDH1A1 (0.48) NPSR1ALDH1A1KMT2AMEN1MAPT

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-5767288-A DITHIANE-BENZOIN ADDUCTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-16 US disclosed