SCHEMBL29396347

SCHEMBL29396347

N#Cc1c(Br)c(N)c(N)c(Br)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL17795982 1.00 MEN1 (0.32) MEN1KMT2ANPC1RAB9AATM
SCHEMBL31290789 0.79 ATM (0.37) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL7635669 0.77 HTT (0.31) ATM
SCHEMBL11480603 0.76 ATM (0.36) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL30983774 0.76 ATM (0.36) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL17265819 0.72 MAPK1 (0.39) MEN1KMT2AADORA2AADORA1MAPK1
SCHEMBL2896109 0.72 MAPK1 (0.39) MEN1KMT2AADORA2AADORA1MAPK1
SCHEMBL13826033 0.72 ATM (0.37) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL11575580 0.72 ATM (0.37) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL30567328 0.70 CA1 (0.36) MEN1KMT2AADORA2AADORA1MAPK1

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-117143591-A White light luminescent material and preparation method and application thereof 深圳大学 2023-12-01 CN disclosed
CN-111171288-B Conjugated polymer and preparation method and application thereof 中国科学院长春应用化学研究所 2022-02-22 CN disclosed