SCHEMBL30969417

SCHEMBL30969417

Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
NTSR1 P30989 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39

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
SCHEMBL30969415 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL31501777 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19541228 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL31463149 0.82 NPC1 (0.60) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL457778 0.82 ESR2 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL29921215 0.82 ESR2 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL31299775 0.79 CYP2A6 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL31299774 0.79 CYP2A6 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22851556 0.79 CYP2A6 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18519001 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTHPGD

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-2024144206-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed