SCHEMBL22454880

SCHEMBL22454880

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
TSPO P30536 1/20 0.38
RORC P51449 7/20 0.37
ALDH1A3 P47895 1/20 0.36
AR P10275 1/20 0.35
MAP4K4 O95819 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ENPP3 O14638 1/20 0.34
KAT6A Q92794 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
SCHEMBL22016999 1.00 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL22454887 1.00 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL22017018 1.00 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL22016998 1.00 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL24509883 0.92 ATM (0.45) PTGER4RORCARMEN1KMT2A
SCHEMBL24509806 0.92 ATM (0.45) PTGER4RORCARMEN1KMT2A
SCHEMBL24509797 0.92 ATM (0.45) PTGER4RORCARMEN1KMT2A
SCHEMBL22458153 0.92 ATM (0.45) PTGER4RORCARMEN1KMT2A
SCHEMBL22016732 0.92 TSPO (0.38) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL22017000 0.92 TSPO (0.38) PTGER4GABRA1GABRG2GABRB3GABRA5

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
WO-2020189283-A1 CHARGE-TRANSPORTING COMPOUND AND MANUFACTURING METHOD THEREOF, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ETC. コニカミノルタ株式会社 2020-09-24 WO disclosed