SCHEMBL31495484

SCHEMBL31495484

NNC(=O)c1ncc2ccc(Br)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.42
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GSK3B P49841 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 2/20 0.33
HIF1A Q16665 1/20 0.32
MAPK1 P28482 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
Trifluoroacetic Acid SCHEMBL30713206 0.91 IRAK4 (0.36) OGG1KDM4EALDH1A1LMNANPC1
SCHEMBL21810392 0.81 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL29277572 0.79 TSHR (0.37) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL30713254 0.78 DYRK1A (0.34) KDM4EALDH1A1GSK3BHTTRIPK1
SCHEMBL29277583 0.75 NPC1 (0.39) ALDH1A1LMNANPC1RAB9AGAA
SCHEMBL3845576 0.73 ADORA2A (0.45) OGG1KDM4EALDH1A1LMNANPC1
SCHEMBL27389815 0.72 KDM4E (0.38) OGG1KDM4EALDH1A1LMNANPC1
SCHEMBL30962408 0.70 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL15825088 0.66 KDM4E (0.46) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL22440094 0.66 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9AMAPK1

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
EP-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed