SCHEMBL28656157

SCHEMBL28656157

Brc1ccccc1-c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
OPRK1 P41145 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 5/20 0.33

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
SCHEMBL30722944 1.00 MAPK1 (0.50) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19869562 0.87 MAPT (0.47) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30817483 0.87 MAPT (0.47) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19152866 0.87 ALDH1A1 (0.46) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30817488 0.87 ALDH1A1 (0.46) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30722930 0.85 ALDH1A1 (0.55) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28637750 0.85 ALDH1A1 (0.55) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28500082 0.84 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL26157461 0.84 ALDH1A1 (0.39) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1645301 0.84 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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
CN-113563205-A Novel compound and organic light-emitting element comprising same 株式会社东进世美肯 2021-10-29 CN disclosed