SCHEMBL30069017

SCHEMBL30069017

COCc1nccc(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
KDM5A P29375 4/20 0.45
KDM3A Q9Y4C1 2/20 0.45
JMJD1C Q15652 1/20 0.45
KDM5B Q9UGL1 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ECE1 P42892 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM6B O15054 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
BBOX1 O75936 1/20 0.38
MAPT P10636 1/20 0.38
KDM5C P41229 1/20 0.38

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
SCHEMBL25294721 1.00 KDM4E (0.45) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL24921054 0.86 ALDH1A1 (0.39) KDM4EKDM5AKDM5BHCAR2L3MBTL1
SCHEMBL6305112 0.85 NNMT (0.39) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL9952304 0.80 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL31132583 0.79 KDM4E (0.39) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL18036607 0.78 KDM4E (0.50) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL31229428 0.77 KDM4E (0.42) KDM4EKDM5AKDM3AJMJD1CHCAR2
SCHEMBL25176793 0.77 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL7368934 0.77 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKDM5B
SCHEMBL31053756 0.77 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKDM5B

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-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed