SCHEMBL11318232

SCHEMBL11318232

Nc1ccc(N=Nc2ccccc2N=Nc2ccc(N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
RAB9A P51151 6/20 0.73
PKM P14618 2/20 0.73
HTT P42858 1/20 0.73
TDP1 Q9NUW8 7/20 0.70
NPC1 O15118 7/20 0.70
L3MBTL1 Q9Y468 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPK1 P28482 6/20 0.53
CYP3A4 P08684 4/20 0.53
TSHR P16473 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.50
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HBB P68871 2/20 0.44

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
SCHEMBL8655985 0.89 RAB9A (0.70) MAPTMEN1KMT2ARAB9APKM
SCHEMBL8655983 0.89 RAB9A (0.70) MAPTMEN1KMT2ARAB9APKM
SCHEMBL29683217 0.89 RAB9A (0.70) MAPTMEN1KMT2ARAB9APKM
SCHEMBL12277762 0.85 MAPT (0.64) MAPTMEN1KMT2ARAB9APKM
SCHEMBL10409225 0.85 MAPT (0.59) MAPTMEN1KMT2ARAB9APKM
SCHEMBL28036462 0.85 MEN1 (0.61) MAPTMEN1KMT2ARAB9APKM
SCHEMBL9073594 0.85 TDP1 (0.66) MAPTMEN1KMT2ARAB9APKM
SCHEMBL9319786 0.85 MAPT (0.59) MAPTMEN1KMT2ARAB9APKM
SCHEMBL9073596 0.85 TDP1 (0.66) MAPTMEN1KMT2ARAB9APKM
SCHEMBL11794663 0.84 MAPT (1.00) MAPTMEN1KMT2ARAB9APKM

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-4271288-A TETRACARBOXYLIC ACID BONDED TO ARYLENE MOIETY VIA METHYLENE GROUPS THE DOW CHEMICAL COMPANY (US) 1981-06-02 US disclosed