SCHEMBL30620060

SCHEMBL30620060

O=C(Oc1ccccc1)c1ccc2n[nH]cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NSD2 O96028 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
PARP10 Q53GL7 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
TMPRSS15 P98073 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL69953 0.81 MAPT (0.62) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5174792 0.79 TDP1 (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28992464 0.79 MAPT (0.66) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23081015 0.78 HTT (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27472012 0.78 MAPT (0.60) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL418527 0.77 MAPT (0.68) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL72201 0.77 MAPT (0.62) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12311610 0.77 ALDH1A1 (0.71) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29637878 0.76 MAPT (0.57) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10960357 0.76 MAPT (0.57) MAPTALDH1A1KMT2AMEN1SMN1; 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
CN-116940572-A 2H-indazole derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-24 CN disclosed