SCHEMBL11276030

SCHEMBL11276030

C#CCN1C=CN=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.30

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
SCHEMBL11709141 0.78 LMNA (0.31)
SCHEMBL11389444 0.78 MAPT (0.33)
SCHEMBL9527213 0.78 LMNA (0.31)
SCHEMBL3523519 0.75 LMNA (0.39)
SCHEMBL1649060 0.75 TSHR (0.38) MAOBMEN1KMT2AATM
SCHEMBL11868744 0.74 MAPT (0.38) MEN1KMT2A
SCHEMBL6610178 0.72 LMNA (0.40) MEN1KMT2A
SCHEMBL5804474 0.72 NPC1 (0.33)
SCHEMBL4250722 0.72 SLC9A1 (0.38) MEN1KMT2A
SCHEMBL8423853 0.69 P2RX4 (0.35)

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
US-4313943-A 7-Chloro-2,3-dihydro-5-phenyl-1-propargyl-1H-1,4-benzodiazepine-2-one, and a pharmaceutical composition thereof L. ZAMBELETTI S.P.A., (IT) 1982-02-02 US disclosed