SCHEMBL30223151

SCHEMBL30223151

Clc1ccc(-c2ccc(Br)c(-c3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
MAP4K4 O95819 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
SMAD3 P84022 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL30223419 1.00 CYP1A2 (0.58) CYP1A2MAP4K4ALDH1A1MAPK1HTT
SCHEMBL25858359 0.90 CYP1A2 (0.54) CYP1A2MAP4K4ALDH1A1MAPK1HTT
SCHEMBL3748766 0.90 ALDH1A1 (0.58) CYP1A2ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL20955794 0.90 ALDH1A1 (0.58) CYP1A2ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL8638226 0.86 ALDH1A1 (0.54) CYP1A2MAP4K4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29763127 0.86 ALDH1A1 (0.54) CYP1A2MAP4K4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL30523563 0.85 TAAR1 (0.49) CYP1A2MAP4K4ALDH1A1MAPK1HTT
SCHEMBL30523588 0.85 CYP1A2 (0.58) CYP1A2MAP4K4ALDH1A1MAPK1HTT
SCHEMBL6562572 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1HTTSMN1; SMN2NPC1
SCHEMBL25962008 0.83 CYP1A2 (0.45) CYP1A2ALDH1A1MAPK1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670253-A Organic light emitting device 株式会社LG化学 2023-08-29 CN disclosed
CN-116406530-A Organic light emitting device 株式会社LG化学 2023-07-07 CN disclosed
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed