SCHEMBL31416481

SCHEMBL31416481

c1ccc(-c2cnnnn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
LMNA P02545 3/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
P4HTM Q9NXG6 2/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
METAP1 P53582 1/20 0.58
BLM P54132 1/20 0.58
HIF1A Q16665 1/20 0.58
DOHH Q9BU89 1/20 0.58
NPC1 O15118 5/20 0.56
TP53 P04637 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALOX15 P16050 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL23888753 1.00 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30842233 1.00 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1456977 0.80 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.76 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30950412 0.76
Dipyridyl SCHEMBL29907716 0.76 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.76 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.76 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23883043 0.76 TP53 (0.34) KDM4ELMNANPC1TP53L3MBTL1
Dipyridyl SCHEMBL27635154 0.75 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8

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-2025043219-A1 METHODS FOR UNCAGING TETRAZINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 WO disclosed