SCHEMBL30570321

SCHEMBL30570321

N#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGER4 P35408 1/20 0.41
TSHR P16473 1/20 0.38
IMPDH2 P12268 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GPR3 P46089 1/20 0.35
USP14 P54578 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ENPP3 O14638 1/20 0.35
RORC P51449 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL30968746 1.00 KDM4E (0.52) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL8282719 1.00 KDM4E (0.52) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL18381830 0.98 KDM4E (0.50) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL30968749 0.96 KDM4E (0.52) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL17934962 0.96 KDM4E (0.52) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL15945858 0.93 KDM4E (0.46) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL21340673 0.92 KDM4E (0.44) KDM4EATML3MBTL1PTGER4CA1
SCHEMBL21337430 0.92 KDM4E (0.44) KDM4EATML3MBTL1PTGER4CA1
SCHEMBL18574642 0.91 KDM4E (0.47) KDM4EATML3MBTL1PTGER4TSHR
SCHEMBL18874148 0.90 KDM4E (0.46) KDM4EATML3MBTL1PTGER4TSHR

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-111892614-B Donor-acceptor type aggregation-induced emission luminescent agent with multi-stimulus response property 香港科技大学 2023-10-10 CN disclosed