SCHEMBL29216348

SCHEMBL29216348

Cc1nc2c(C)c(N)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
RPS6KA3 P51812 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
DYRK1A Q13627 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CDK9 P50750 1/20 0.34
DYRK2 Q92630 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
STAT1 P42224 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL12930245 0.80 ELANE (0.45) ELANEL3MBTL1GAADYRK1AKDM4E
SCHEMBL5540650 0.79 ELANE (0.43) ELANEL3MBTL1GAATSHRKDM4E
SCHEMBL3183685 0.76 ELANE (0.59) ELANEL3MBTL1GAACYP3A4TSHR
SCHEMBL10693336 0.76 ELANE (0.37) ELANEL3MBTL1GAAKDM4EALDH1A1
SCHEMBL30648052 0.76 ELANE (0.37) ELANEL3MBTL1GAACYP3A4KDM4E
SCHEMBL11437488 0.75 RAB9A (0.53) RPS6KA3L3MBTL1GAAKDM4EALDH1A1
SCHEMBL28573765 0.74 NPC1 (0.44) L3MBTL1GAACYP3A4TSHRPIK3CA
SCHEMBL17281458 0.74 ELANE (0.46) ELANEL3MBTL1GAADYRK1AKDM4E
SCHEMBL28467656 0.73 ELANE (0.35) ELANEL3MBTL1GAAKDM4EALDH1A1
SCHEMBL12930255 0.72 ELANE (0.40) ELANEL3MBTL1GAADYRK1AKDM4E

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-117926287-A Method for synthesizing 2-aminobenzoxazole derivative under electrochemical condition 湘潭大学 2024-04-26 CN disclosed