SCHEMBL30298699

SCHEMBL30298699

Cc1cc(C(=O)O)c(Oc2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.47
SRD5A2 P31213 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
RAB9A P51151 2/20 0.44
HSPB1 P04792 1/20 0.43
ATM Q13315 1/20 0.43
MCL1 Q07820 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MYOC Q99972 1/20 0.42

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
SCHEMBL25406283 1.00 MEN1 (0.50) MEN1KMT2AHTTKDM4ESRD5A2
SCHEMBL25406529 0.85 MAPT (0.49) MEN1KMT2AHTTKDM4ERAB9A
SCHEMBL2885992 0.78 MEN1 (0.55) MEN1KMT2AHTTKDM4ESRD5A2
SCHEMBL2885986 0.78 MEN1 (0.55) MEN1KMT2AHTTKDM4ESRD5A2
SCHEMBL27699640 0.75 MEN1 (0.51) MEN1KMT2AHTTKDM4ESRD5A2
SCHEMBL6590677 0.75 CTSV (0.67) MEN1KMT2AHTTKDM4EAKR1C3
SCHEMBL27081716 0.75 XDH (0.49) MEN1KMT2AHTTKDM4EMAPK1
SCHEMBL177777 0.75 MEN1 (0.57) MEN1KMT2AKDM4ESRD5A2AKR1C3
SCHEMBL31557914 0.74 MEN1 (0.60) MEN1KMT2AHTTKDM4ESRD5A2
SCHEMBL31557883 0.74 MEN1 (0.60) MEN1KMT2AHTTKDM4ESRD5A2

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-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 CN disclosed
CN-115915941-A Pyridine (thio) amides as fungicidal compounds 拜耳公司 2023-04-04 CN disclosed