SCHEMBL28003642

SCHEMBL28003642

c1ccc(N(c2ccccc2)c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1.c1conn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
TDO2 P48775 3/20 0.38
HTR2B P41595 2/20 0.38
HTR5A P47898 2/20 0.38
PARP14 Q460N5 13/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29476082 0.85 PARP14 (0.47) BCHEPARP14
SCHEMBL29268809 0.85 PARP14 (0.47) BCHEPARP14
SCHEMBL27630765 0.82 TDO2 (0.50) BCHETDO2HTR2BHTR5APARP14
SCHEMBL3847780 0.77 PARP14 (0.50) BCHEPARP14ALDH1A1HSD17B10
SCHEMBL22186251 0.75 PARP14 (0.43) BCHEPARP14
SCHEMBL29280759 0.75 PARP14 (0.43) BCHEPARP14
SCHEMBL30435195 0.74 CDK4 (0.42) TDO2HTR2BHTR5APARP14MAPK1
SCHEMBL28572505 0.74 PARP14 (0.48) BCHEPARP14GABRPGABRDGABRA1
SCHEMBL19305287 0.74 KIF11 (0.50) BCHETDO2HTR2BHTR5APARP14
Carbazole SCHEMBL2732599 0.74 ALDH1A1 (0.54) TDO2HTR2BHTR5AKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104560028-A Carbazolyl triphenylamine-oxadiazole fluorescent molecule as well as preparation method and application thereof UNIV SOUTHEAST 2015-04-29 CN disclosed
CN-104560028-A Carbazolyl triphenylamine-oxadiazole fluorescent molecule as well as preparation method and application thereof UNIV SOUTHEAST 2015-04-29 CN disclosed