SCHEMBL28992437

SCHEMBL28992437

O=C(O)c1cc(C(=O)O)cc(-c2nc[nH]n2)c1.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
DHODH Q02127 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYCS P99999 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
NOTUM Q6P988 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
TPMT P51580 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL28992433 0.98 ALOX15 (0.38) ALOX15TSHRHIF1ADHODHKDM4E
SCHEMBL4231277 0.81 KMO (0.53) KDM4EALDH1A1MAPK1LMNAHPGD
SCHEMBL28992435 0.80
Zinc Ion SCHEMBL28992434 0.80
SCHEMBL4224606 0.79 KDM4E (0.47) TSHRKDM4EALDH1A1TP53HSD17B10
SCHEMBL28612196 0.76 NSD2 (0.50) ALDH1A1MAPK1MAPTLMNATDP1
SCHEMBL28323925 0.72 TSHR (0.33) TSHRKDM4EALDH1A1LCKFYN
SCHEMBL17114298 0.71 TSHR (0.48) ALOX15TSHRHIF1ADHODHKDM4E
SCHEMBL28069334 0.71 TSHR (0.54) ALOX15TSHRHIF1ADHODHKDM4E
SCHEMBL17114080 0.70 NPC1 (0.43) ALOX15TSHRHIF1ADHODHKDM4E

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-110257052-B Blue luminescent material and preparation method thereof 河南工程学院 2023-03-28 CN claimed
CN-110257052-B Blue luminescent material and preparation method thereof 河南工程学院 2023-03-28 CN disclosed