SCHEMBL28407126

SCHEMBL28407126

Cc1ccc(-c2c(Br)c(C(=O)c3ccccc3)n3ccc(C#N)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA4 P48058 1/20 0.36

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
SCHEMBL28406808 0.92 KMT2A (0.44) KMT2AMAOAMAOBGRIA4
SCHEMBL28890242 0.85 MAPT (0.45) KMT2AFNTAFNTB
SCHEMBL28411193 0.85 MAPT (0.44) KMT2AHTTMEN1
SCHEMBL15172938 0.65 HTT (0.48) KMT2AFNTAFNTBHTTMEN1
SCHEMBL5737978 0.65 KMT2A (0.63) KMT2AHTTMEN1TSHR
SCHEMBL9097606 0.65 BACE1 (0.39) KMT2AMAOBMEN1
SCHEMBL9042171 0.62 PDE9A (0.41) KMT2AMAOAMAOBHTTMEN1
SCHEMBL8721290 0.62 FASN (0.41) KMT2AMAOAMAOBMEN1
SCHEMBL15496856 0.61 LMNA (0.70) KMT2AMEN1
SCHEMBL13445258 0.61 LMNA (0.70) KMT2AMEN1

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
CN-111217812-A Process for preparing 2-bromoindolizine derivatives 淮阴师范学院 2020-06-02 — — CN disclosed
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