SCHEMBL25929656

SCHEMBL25929656

Clc1nc(-c2ccccc2)c2c(-c3ccc(-c4nc(-c5ccccc5)nc5ccc(Br)cc45)cc3)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 5/20 0.42
OPRK1 P41145 1/20 0.42
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
THRB P10828 1/20 0.40
WHR1 P49842 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
ABCB1 P08183 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.38

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
SCHEMBL19320197 0.79 PRNP (0.60) MAPTPRNPL3MBTL1KMT2AATM
SCHEMBL18455642 0.79 PRNP (0.63) MAPTPRNPL3MBTL1KMT2AATM
SCHEMBL5988414 0.78 MEN1 (0.50) LMNAL3MBTL1KMT2AATMMEN1
SCHEMBL18314502 0.76 PRNP (0.44) MAPTPRNPL3MBTL1KMT2AATM
SCHEMBL21934476 0.74 MEN1 (0.56) MAPTKDM4EALDH1A1KMT2AATM
SCHEMBL5025655 0.73 KMT2A (0.54) MAPTKDM4EALDH1A1LMNAPRNP
SCHEMBL21934022 0.73 MEN1 (0.61) MAPTKDM4EALDH1A1KMT2AATM
SCHEMBL21933689 0.73 MEN1 (0.61) MAPTKDM4EALDH1A1KMT2AATM
SCHEMBL21933693 0.73 MEN1 (0.61) MAPTKDM4EALDH1A1KMT2AATM
SCHEMBL21934593 0.73 MEN1 (0.61) MAPTKDM4EALDH1A1KMT2AATM

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-2023138254-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT 上海八亿时空先进材料有限公司 2023-07-27 WO disclosed