SCHEMBL29012467

SCHEMBL29012467

O=C1N=c2ccccc2=C1CCBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
MAPK10 P53779 1/20 0.36
TGM2 P21980 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CGAS Q8N884 1/20 0.33
CCR6 P51684 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
NLRP3 Q96P20 2/20 0.32
MAPK1 P28482 3/20 0.30
GAA P10253 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
SCHEMBL22410854 0.81 MAPT (0.36) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10502356 0.81 ATM (0.39) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL29012480 0.81 MAPT (0.39) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL9373616 0.77 MAPT (0.36) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL28576366 0.77 MAPT (0.41) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL9159521 0.77 MAPT (0.37) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL3520478 0.77 ATM (0.38) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL6660995 0.77 MAPT (0.37) MAPTKMT2AALDH1A1MEN1POLB
Hydrochloric Acid SCHEMBL29143517 0.76 MAPT (0.36) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10911386 0.74 KAT2B (0.35) MAPTKMT2AALDH1A1MEN1POLB

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-116063304-A Uncaria base derivatives, and preparation method and application thereof 中国药科大学 2023-05-05 CN disclosed
CN-110669088-B N- (2-ethylamine) benzenesulfonylamino cordycepin derivative and preparation method and application thereof 成都阿奇生物医药科技有限公司 2023-03-28 CN disclosed