SCHEMBL28615657

SCHEMBL28615657

Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Nc1cccc(N)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.87
MEN1 O00255 10/20 0.87
KMT2A Q03164 10/20 0.87
MAPT P10636 10/20 0.87
SMN1; SMN2 Q16637 10/20 0.87
NPC1 O15118 10/20 0.87
KDM4E B2RXH2 9/20 0.87
RAB9A P51151 9/20 0.87
GAA P10253 8/20 0.87
GFER P55789 5/20 0.87
GLA P06280 4/20 0.87
RXFP1 Q9HBX9 3/20 0.87
RECQL P46063 2/20 0.87
CACNA1B Q00975 2/20 0.84
APBA1 Q02410 2/20 0.84
HPGD P15428 9/20 0.82
POLB P06746 8/20 0.82
BLM P54132 4/20 0.82
HSD17B10 Q99714 4/20 0.82
USP2 O75604 3/20 0.82

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
SCHEMBL28548462 0.94 MEN1 (0.82) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL363703 0.93 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2251258 0.92 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12351750 0.90 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20982512 0.90 MEN1 (0.96) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9767339 0.89 MEN1 (0.90) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29377327 0.89 MEN1 (0.90) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12351220 0.87 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL396671 0.87 MAPT (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15443953 0.86 MEN1 (0.87) ALDH1A1MEN1KMT2AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112592653-A Preparation method of high-temperature-resistant polyimide wire enamel 江苏四达特材科技有限公司 2021-04-02 CN claimed
CN-112592653-A Preparation method of high-temperature-resistant polyimide wire enamel 江苏四达特材科技有限公司 2021-04-02 CN disclosed