SCHEMBL25875458

SCHEMBL25875458

Nc1cccc(-c2ccccc2-c2nc(Cl)nc(-c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 4/20 0.55
KDM4E B2RXH2 3/20 0.55
GLA P06280 2/20 0.55
MAOA P21397 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
MAP4K4 O95819 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL25875538 0.89 MEN1 (0.64) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL25875343 0.86 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL25875264 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18468605 0.84 ADORA3 (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL29750333 0.84 ADORA3 (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL30776021 0.82 HPGD (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL20561304 0.82 HPGD (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL24353277 0.82 ADORA3 (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL32682800 0.82 ADORA3 (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL29458359 0.80 ADORA3 (0.45) MEN1KMT2AALDH1A1HPGDMAPT

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-2023140649-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-27 WO disclosed