SCHEMBL11328779

SCHEMBL11328779

Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
RAB9A P51151 5/20 0.73
MAPT P10636 5/20 0.73
MEN1 O00255 5/20 0.73
PKM P14618 1/20 0.73
HTT P42858 1/20 0.73
NPC1 O15118 5/20 0.70
TDP1 Q9NUW8 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
CA12 O43570 4/20 0.63
CA2 P00918 4/20 0.63
CA9 Q16790 4/20 0.63
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
GLO1 Q04760 1/20 0.43
NSD2 O96028 1/20 0.42

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
SCHEMBL11696992 1.00 KMT2A (0.73) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL11332275 0.91 RAB9A (0.67) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL11332270 0.91 RAB9A (0.67) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL11322811 0.85 KMT2A (0.58) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL9276024 0.85 MEN1 (0.59) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL9276029 0.85 MEN1 (0.59) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL9114278 0.85 RAB9A (0.62) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL11038702 0.85 MAPT (0.59) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL11038706 0.85 MAPT (0.59) KMT2ARAB9AMAPTMEN1PKM
SCHEMBL29779865 0.85 MAPT (0.59) KMT2ARAB9AMAPTMEN1PKM

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 3 patents. 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
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 US disclosed