SCHEMBL27951925

SCHEMBL27951925

NC(=O)c1ccc(-c2nc3cc(N)ccc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 2/20 0.55
MAPT P10636 2/20 0.55
RECQL P46063 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.55
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL20001633 0.91 CHEK2 (0.69) CHEK2MEN1KMT2ARXFP1PKN1
SCHEMBL30343709 0.91 CHEK2 (0.69) CHEK2MEN1KMT2ARXFP1PKN1
SCHEMBL21018500 0.90 CHEK2 (0.63) CHEK2PKN1PKN2
SCHEMBL27528263 0.89 MEN1 (0.74) CHEK2MEN1KMT2ARXFP1CACNA1B
SCHEMBL1663947 0.89 KDM4E (0.63) CHEK2MEN1KMT2ARXFP1CACNA1B
Terephthalamide SCHEMBL28143925 0.87 CHEK2 (0.75) CHEK2MEN1KMT2ARXFP1CACNA1B
SCHEMBL1655753 0.86 MEN1 (0.73) CHEK2MEN1KMT2ARXFP1CACNA1B
SCHEMBL30533210 0.86 MEN1 (0.73) CHEK2MEN1KMT2ARXFP1CACNA1B
SCHEMBL31289463 0.85 CHEK2 (0.65) CHEK2MEN1KMT2ARXFP1CACNA1B
SCHEMBL8769051 0.85 MEN1 (0.71) CHEK2MEN1KMT2ARXFP1CACNA1B

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-102677225-B Aromatic polyamide/aromatic polyimide blended fiber and preparation method thereof UNIV SICHUAN 2014-03-12 CN claimed
CN-102677225-B Aromatic polyamide/aromatic polyimide blended fiber and preparation method thereof UNIV SICHUAN 2014-03-12 CN disclosed