SCHEMBL11792172

SCHEMBL11792172

Cc1ccc(Nc2cc(Nc3ccc(C)cc3)c(N)cc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.62
MAPT P10636 6/20 0.62
TDP1 Q9NUW8 4/20 0.62
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 2/20 0.57
GFER P55789 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
ELAVL1 Q15717 1/20 0.47
EGFR P00533 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
HPGD P15428 4/20 0.46
RAB9A P51151 2/20 0.46
G6PD P11413 1/20 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
SCHEMBL22701403 0.94 MAPT (0.56) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL20268581 0.82 MAPT (0.59) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL10813238 0.82 GAA (0.61) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL14247246 0.79 MAPT (0.58) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL20268378 0.78 MAPT (0.56) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL11789717 0.78 CYP3A4 (0.43) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL24208169 0.78 ALDH1A1 (0.45) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL24208167 0.78 MAPT (0.64) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL5080900 0.77 MAPT (0.64) GAAMAPTTDP1KDM4ESMN1; SMN2
SCHEMBL2602405 0.77 MAPT (1.00) GAAMAPTTDP1KDM4ESMN1; SMN2

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-3951920-A Permselective polymeric membrane prepared from polybenzimidazoles TEIJIN LIMITED (JA) 1976-04-20 US disclosed