SCHEMBL31337590

SCHEMBL31337590

N#CCc1ccc(C[Zn+])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ENPP2 Q13822 1/20 0.36
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
FLT3 P36888 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GAA P10253 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32

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
Bromide SCHEMBL30583553 0.97 KMT2A (0.39) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL2154504 0.86 KMT2A (0.47) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL196175 0.83 MMP3 (0.50) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL23137321 0.83 MMP3 (0.50) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL5571244 0.79 KMT2A (0.40) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL8763328 0.78 KMT2A (0.42) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL30439382 0.77 MMP3 (0.50) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL343612 0.75 MMP3 (0.53) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL2939551 0.74 CA1 (0.41) KMT2ATNFKDM4ETDP1MMP3
SCHEMBL37742 0.74 IDO1 (0.46) KMT2AKDM4ETDP1L3MBTL1LMNA

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-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 CN disclosed