SCHEMBL7671789

SCHEMBL7671789

CCOc1nc(-c2ccc(OC)cc2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPT P10636 4/20 0.68
CYP1A2 P05177 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HPGD P15428 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP2C19 P33261 1/20 0.68
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
SYK P43405 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
PDE5A O76074 1/20 0.56
CYP3A4 P08684 1/20 0.56
VDR P11473 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56

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
SCHEMBL7673162 0.88 MEN1 (0.83) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL23743253 0.87 MAPT (0.72) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL7664522 0.85 CYP1A2 (0.78) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL23743154 0.84 MAPT (0.59) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL28147437 0.80 ADORA2A (0.68) MEN1KMT2AMAPTCYP1A2KDM4E
SCHEMBL13971395 0.78 KDM4E (0.64) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL16404287 0.78 CYP1A2 (0.68) MEN1KMT2AMAPTCYP1A2KDM4E
SCHEMBL7671927 0.78 TSHR (0.69) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL1083965 0.77 MAPT (0.81) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL31529342 0.77 MAPT (0.81) GAAMEN1KMT2AMAPTCYP1A2

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-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed