SCHEMBL26828809

SCHEMBL26828809

C=C(Cc1ccccc1N)c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KMO O15229 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL26828815 0.98 PRSS1 (0.47) PRSS1PRSS2PRSS3KMOHDAC1
SCHEMBL26828948 0.89 MEN1 (0.41) PRSS1PRSS2PRSS3KMOHDAC1
SCHEMBL26818746 0.85 WDR5 (0.44) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL26818908 0.85 PTGS1 (0.42) HDAC1ALDH1A1GAAMAPT
SCHEMBL26818910 0.84 ICMT (0.38) PRSS1PRSS2PRSS3HDAC2
SCHEMBL26828946 0.78 DHODH (0.43) HDAC2
SCHEMBL38664634 0.78 KMO (0.48) PRSS1PRSS2PRSS3KMOHDAC8
SCHEMBL16795802 0.74 KMO (0.52) PRSS1PRSS2PRSS3KMOHDAC8
SCHEMBL20243662 0.74 PRSS1 (0.64) PRSS1PRSS2PRSS3KMOHDAC8
SCHEMBL26825796 0.72 ABCB11 (0.40) HDAC1HDAC8HDAC3HDAC2HDAC4

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
EP-4282861-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME Lapto Co., Ltd. (KR) 2023-11-29 EP disclosed