SCHEMBL29314622

SCHEMBL29314622

Cc1c(I)c2ccccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
DDO Q99489 1/20 0.58
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.53
PARP1 P09874 3/20 0.53
TNKS2 Q9H2K2 2/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
TNKS O95271 1/20 0.53
GPR3 P46089 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP15 Q460N3 1/20 0.53
RAB9A P51151 1/20 0.51
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.48
IDE P14735 1/20 0.48

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
SCHEMBL7567951 0.85 DAO (0.62) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL6220014 0.82 DAO (0.69) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL1757631 0.77 AHR (0.64) KDM4EALDH1A1CYP1A2TNKS2LMNA
SCHEMBL1276512 0.77 KDM4E (0.69) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL31175987 0.77 KDM4E (0.53) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL29505902 0.77 DAO (0.73) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL14339328 0.77 DAO (0.58) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL2726546 0.77 DAO (0.73) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL23350310 0.76 KDM4E (0.52) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL30462974 0.74 HTT (0.61) DAODDOKDM4EALDH1A1CYP1A2

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-4400502-A2 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Shionogi & Co., Ltd (JP) 2024-07-17 EP disclosed