SCHEMBL24521246

SCHEMBL24521246

BrC1C=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ADORA2A P29274 5/20 0.35
▸ ADORA1 P30542 5/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ACP1 P24666 2/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL22812658 0.85 MEN1 (0.44) L3MBTL1ADORA2AADORA1ADORA3TDP1
SCHEMBL19413677 0.76 L3MBTL1 (0.54) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22109950 0.74 L3MBTL1 (0.39) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL24381707 0.74 NPC1 (0.40) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL23679229 0.74 MEN1 (0.34) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL19297301 0.73 ESR1 (0.39) L3MBTL1ADORA2AADORA1ADORA3MEN1
SCHEMBL20709370 0.72 MEN1 (0.34) L3MBTL1ADORA2AADORA1ADORA3POLB
SCHEMBL18015586 0.71 GP6 (0.34) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL20407213 0.70 MEN1 (0.41) ADORA2AADORA1ADORA3TDP1MEN1
SCHEMBL17637656 0.70 L3MBTL1 (0.35) L3MBTL1KMT2AALDH1A1LMNAHTT

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
EP-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 — — EP disclosed
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