SCHEMBL28648798

SCHEMBL28648798

O=C(O)C(Cc1c[nH]c2ccccc12)NOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.62
MMP9 P14780 5/20 0.62
ALOX15 P16050 1/20 0.61
ACE P12821 3/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
P2RY14 Q15391 1/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
APAF1 O14727 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58

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
SCHEMBL11078918 0.86 KMT2A (0.58) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL231803 0.86 ALOX15 (0.66) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL231804 0.86 ALOX15 (0.66) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL30782236 0.84 ALOX15 (0.70) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL27851269 0.84 ALOX15 (0.63) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL31210300 0.84 ALOX15 (0.67) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL29063383 0.84 ALOX15 (0.63) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL28200409 0.84 ALOX15 (0.63) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL7558085 0.84 ALOX15 (0.67) MMP2MMP9ALOX15ACEKMT2A
SCHEMBL7558077 0.84 ALOX15 (0.67) MMP2MMP9ALOX15ACEKMT2A

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-113646048-A Anti-cancer combination therapy 勃林格殷格翰国际有限公司 2021-11-12 CN disclosed