SCHEMBL31432092

SCHEMBL31432092

CCCNC(=O)c1cccnc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.62
ALDH1A1 P00352 7/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
BLM P54132 1/20 0.62
AGER Q15109 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KMT2A Q03164 3/20 0.59
GAA P10253 2/20 0.56
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPN1 P18031 1/20 0.47
RIPK1 Q13546 1/20 0.44
MEN1 O00255 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL12955221 0.88 KMT2A (0.62) KDM4EALDH1A1ALOX15TSHRL3MBTL1
Quinolinic Acid SCHEMBL14687247 0.84 KDM4E (0.81) KDM4EALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL162691 0.81 TSHR (0.51) KDM4EALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL9213267 0.81 KDM4E (0.61) KDM4EALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL11538362 0.80 PRKCI (0.55) KDM4EALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL30887046 0.79 KDM4E (0.67) KDM4EALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL16088176 0.79 KMT2A (0.56) KDM4EALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL8154709 0.79 KMT2A (0.80) KDM4EALDH1A1ALOX15TSHRL3MBTL1
Quinolinic Acid SCHEMBL69230 0.78 KDM4E (1.00) KDM4EALDH1A1ALOX15TSHRL3MBTL1
Quinolinic Acid SCHEMBL343618 0.78 KDM4E (1.00) KDM4EALDH1A1ALOX15TSHRL3MBTL1

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
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed