SCHEMBL28173166

SCHEMBL28173166

Nc1ccc(N)c2nc3ccccc3cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 5/20 0.63
HPGD P15428 4/20 0.63
GAA P10253 3/20 0.63
GLA P06280 3/20 0.63
POLB P06746 3/20 0.63
KDM4E B2RXH2 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 1/20 0.63
PTBP1 P26599 1/20 0.63
RCE1 Q9Y256 1/20 0.63
MAPT P10636 3/20 0.48
ACHE P22303 3/20 0.48
IDO1 P14902 1/20 0.47
HTR3A P46098 1/20 0.46
MEN1 O00255 3/20 0.43
USP2 O75604 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL9227657 0.85 ALDH1A1 (0.56) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL9406767 0.85 ALDH1A1 (0.56) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL9406598 0.81 TLR8 (0.57) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL9385710 0.81 GAA (0.51) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL4903727 0.80 ALDH1A1 (0.54) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL27996192 0.80 ALDH1A1 (0.50) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL26749714 0.78 ALDH1A1 (0.62) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL29863459 0.78 ALDH1A1 (1.00) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL167452 0.78 ALDH1A1 (1.00) KMT2AALDH1A1HPGDGAAGLA
SCHEMBL1228778 0.78 ALDH1A1 (0.60) KMT2AALDH1A1HPGDGAAGLA

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-107250087-B Electroactive material 株式会社LG化学 2022-01-18 CN disclosed
CN-107250087-A Electroactive material E.I.内穆尔杜邦公司 2017-10-13 CN disclosed