SCHEMBL25824628

SCHEMBL25824628

Cc1c(Br)oc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.56
AHR P35869 7/20 0.48
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AKR1B1 P15121 1/20 0.42
ADCY1 Q08828 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 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
SCHEMBL25824714 0.80 AHR (0.52) MCL1AHRALDH1A1LMNAKMT2A
SCHEMBL14409919 0.80 MCL1 (0.59) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL4449382 0.77 MCL1 (0.56) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL28196748 0.77 AHR (0.48) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL4452101 0.77 MCL1 (0.51) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL12248491 0.74 MCL1 (0.53) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL2282515 0.74 AHR (0.78) MCL1AHRALDH1A1LMNAKMT2A
SCHEMBL11472067 0.73 MEN1 (0.47) MCL1AHRALDH1A1KMT2AADORA3
SCHEMBL4451342 0.73 MCL1 (0.55) MCL1AHRKCNH2ALDH1A1LMNA
SCHEMBL719067 0.73 MCL1 (0.55) MCL1AHRKCNH2ALDH1A1KMT2A

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-2023132488-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 WO disclosed