SCHEMBL30892018

SCHEMBL30892018

Cc1ccccc1-c1[nH]c2ccccc2c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
MDH2 P40926 1/20 0.43
NQO1 P15559 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL6669751 0.75 KDM4E (0.68) MAPTALDH1A1FNTAFNTBSMN1; SMN2
SCHEMBL2087913 0.75 TSHR (0.55) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL11488750 0.74 TBXAS1 (0.64) FNTAFNTBSMN1; SMN2MEN1KMT2A
SCHEMBL6669255 0.74 EGFR (0.56) MAPTALDH1A1FNTAFNTBHTT
SCHEMBL14074159 0.73 MAPT (0.57) MAPTALDH1A1NPSR1HTTTSHR
SCHEMBL11494180 0.71 HTR2A (0.67) MAPTFNTAFNTB
SCHEMBL12451681 0.70 HTT (0.54) MAPTALDH1A1HTTHPGDMDH2
SCHEMBL8665875 0.70 MAPT (0.51) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL28118179 0.70 MAPT (0.43) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL7894073 0.69 TSHR (0.59) MAPTHPGDTSHRSMN1; SMN2MEN1

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-118201896-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-06-14 CN disclosed