SCHEMBL31190081

SCHEMBL31190081

Brc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ MAPT P10636 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MCL1 Q07820 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NTSR1 P30989 1/20 0.53
▸ GLA P06280 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.46
▸ ADORA2A P29274 2/20 0.46

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
SCHEMBL22092462 1.00 AGTR1 (0.58) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15458583 0.96 AGTR1 (0.58) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22914329 0.96 AGTR1 (0.58) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30400680 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22913722 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23197477 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL21808817 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29714732 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22534581 0.95 MEN1 (0.57) AGTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19383112 0.93 ALDH1A1 (0.54) AGTR1ALDH1A1MEN1KMT2AMAPT

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-118908907-A Compound and organic electroluminescent element using same 索路思高新材料有限公司 2024-11-08 — — CN disclosed
CN-118908906-A Compound and organic electroluminescent element using same 索路思高新材料有限公司 2024-11-08 — — CN disclosed
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