SCHEMBL30103084

SCHEMBL30103084

COC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4cccc(OC)c4)nc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MET P08581 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 4/20 0.40
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CSNK1D P48730 1/20 0.40
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 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
SCHEMBL24785074 1.00 NR1H2 (0.42) NR1H2NR1H3METHDAC1HDAC6
SCHEMBL24785096 0.92 KMT2A (0.47) NR1H2NR1H3METHDAC1HDAC6
SCHEMBL30103052 0.92 KMT2A (0.47) NR1H2NR1H3METHDAC1HDAC6
SCHEMBL30103029 0.90 NPBWR1 (0.41) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL24784564 0.90 NPBWR1 (0.41) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL24785446 0.90 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL30103067 0.90 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL24784614 0.86 P2RX7 (0.39) METKMT2ASMN1; SMN2RAB9AGRIN1
SCHEMBL30103053 0.86 P2RX7 (0.39) METKMT2ASMN1; SMN2RAB9AGRIN1
SCHEMBL24784639 0.85 MDM2 (0.34) METRAB9ANPBWR1

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed