SCHEMBL29471244

SCHEMBL29471244

Cc1cc2c(Br)cc(OCC(=O)O)cc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ PTPRB P23467 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PSEN1 P49768 5/20 0.40
▸ PSEN2 P49810 5/20 0.40
▸ APH1B Q8WW43 5/20 0.40
▸ NCSTN Q92542 5/20 0.40
▸ APH1A Q96BI3 5/20 0.40
▸ PSENEN Q9NZ42 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MCL1 Q07820 5/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ THRA P10827 1/20 0.38

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
SCHEMBL26547708 0.84 TNFRSF1A (0.44) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL26547632 0.81 CYP19A1 (0.43) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL26547697 0.81 ALDH1A1 (0.36) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL26547732 0.80 ACACB (0.38) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL26547712 0.79 HPGD (0.42) MEN1KMT2AKDM4EHPGDADORA2B
SCHEMBL31248637 0.76 BRPF1 (0.43) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL26547693 0.75 NPC1 (0.48) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31248639 0.75 KMT2A (0.34) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31248652 0.75 MEN1 (0.34) MEN1KMT2AL3MBTL1ALDH1A1HIF1A
SCHEMBL31248757 0.75 SMN1; SMN2 (0.37) MEN1KMT2AL3MBTL1ALDH1A1HIF1A

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
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 — — EP disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — WO disclosed
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