SCHEMBL31704456

SCHEMBL31704456

O=C(O)c1coc2cc(Br)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MAOB P27338 3/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PIM1 P11309 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43

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
SCHEMBL23320560 1.00 KDM4E (0.50) KDM4EGLAMEN1KMT2ARXFP1
SCHEMBL6840630 0.86 CASP3 (0.55) KDM4EGLAMEN1KMT2ARXFP1
SCHEMBL31704227 0.80 SMN1; SMN2 (0.49) KDM4EMEN1KMT2AMAOBCASP3
SCHEMBL204082 0.80 PIM1 (0.54) KDM4EMAOBCASP3SENP8SENP7
SCHEMBL2414110 0.79 MAPT (0.48) KDM4EGLAMEN1KMT2ARXFP1
SCHEMBL18530849 0.79 SMN1; SMN2 (0.59) KDM4EMEN1KMT2AMAOBPIM1
SCHEMBL29933509 0.79 SMN1; SMN2 (0.59) KDM4EMEN1KMT2AMAOBPIM1
SCHEMBL23359886 0.79 KEAP1 (0.46) KDM4EMEN1KMT2AMAOBPIM1
SCHEMBL3344909 0.78 MAOB (0.61) KDM4EGLAMEN1KMT2AGRIN1
SCHEMBL31661203 0.77 MAOB (0.53) RXFP1MAOBALDH1A1TSHR

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-2025217336-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-10-16 WO disclosed