SCHEMBL31056854

SCHEMBL31056854

COC(=O)c1ccc(Br)c2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAP2K1 Q02750 1/20 0.52
TP53 P04637 2/20 0.50
PSMD14 O00487 1/20 0.49
ALDH1A1 P00352 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
CKS1B P61024 1/20 0.44
SKP2 Q13309 1/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL15054071 1.00 KDM4E (0.62) KDM4EKMT2AMEN1MAP2K1TP53
SCHEMBL17113034 0.88 KDM4E (0.71) KDM4EKMT2AMEN1MAP2K1TP53
SCHEMBL17113200 0.88 PSMD14 (0.56) KDM4EKMT2AMEN1MAP2K1TP53
SCHEMBL28622697 0.86 KDM4E (0.51) KDM4EKMT2AMEN1MAP2K1TP53
SCHEMBL27872880 0.84 KMT2A (0.46) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL31467097 0.84 ELANE (0.49) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL26984289 0.84 ELANE (0.49) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL21878477 0.83 KDM4E (0.64) KDM4EMAP2K1PSMD14ALDH1A1TDP1
SCHEMBL23360051 0.82 KMT2A (0.53) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL9945610 0.82 KDM4E (0.64) KDM4EKMT2AMEN1MAP2K1PSMD14

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed