SCHEMBL30989646

SCHEMBL30989646

CCSc1cc(-c2cnc(N)nn2)cnc1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 1/20 0.32
MAPK1 P28482 2/20 0.31
MPO P05164 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 1/20 0.31
GABRB3 P28472 1/20 0.31
CASP1 P29466 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL25887477 1.00 L3MBTL1 (0.34) L3MBTL1ALOX5APMAPK1MPOCYP3A4
SCHEMBL30989703 0.86 L3MBTL1 (0.34) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL25887480 0.86 L3MBTL1 (0.34) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL30989658 0.82 L3MBTL1 (0.32) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL25887482 0.82 L3MBTL1 (0.32) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL17824481 0.79 L3MBTL1 (0.40) L3MBTL1MAPK1MPOCYP3A4ALDH1A1
SCHEMBL22190421 0.75 L3MBTL1 (0.41) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL18424762 0.74 EGLN1 (0.51) L3MBTL1ALDH1A1POLBKDM4ELMNA
SCHEMBL17422583 0.74 MAPT (0.41) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL30614499 0.74 MAPT (0.41) L3MBTL1MAPK1CYP3A4ALDH1A1CYP1A2

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-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 CN disclosed