SCHEMBL22914329

SCHEMBL22914329

Brc1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.58
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 6/20 0.58
▸ HPGD P15428 5/20 0.58
▸ NTSR1 P30989 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ MCL1 Q07820 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ ADORA2A P29274 2/20 0.50
▸ ADORA1 P30542 2/20 0.50

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
SCHEMBL15458583 1.00 AGTR1 (0.58) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL29714732 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL30400680 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL22913722 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL21808817 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL23197477 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL22534581 0.98 MEN1 (0.57) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL22092462 0.96 AGTR1 (0.58) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL19383112 0.96 ALDH1A1 (0.54) AGTR1MEN1KMT2AALDH1A1MAPT
SCHEMBL31190081 0.96 AGTR1 (0.58) AGTR1MEN1KMT2AALDH1A1MAPT

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-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 — — WO disclosed
Send feedback