SCHEMBL30722930

SCHEMBL30722930

Brc1ccccc1-c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
OPRK1 P41145 1/20 0.52
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 2/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 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
SCHEMBL28637750 1.00 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL30817488 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL19869562 0.88 MAPT (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL30817483 0.88 MAPT (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL19152866 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL30722944 0.85 MAPK1 (0.50) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL28656157 0.85 MAPK1 (0.50) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL28640722 0.84 MEN1 (0.44) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL31611940 0.84 MEN1 (0.44) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL1783501 0.84 SMN1; SMN2 (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563205-B Novel compound and organic light-emitting element comprising same 株式会社东进世美肯 2025-06-10 CN disclosed
CN-117326954-A Novel compound and organic light-emitting element comprising same 东进世美肯株式会社 2024-01-02 CN disclosed