SCHEMBL23398406

SCHEMBL23398406

Cc1ccccc1-c1c(O)c(C(C)(C)C)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
KDM4C Q9H3R0 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
USP2 O75604 1/20 0.37
NT5E P21589 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL23402001 0.93 ATM (0.41) ATMKDM4AALDH1A1HIF1APTGS2
SCHEMBL23399587 0.88 HPGD (0.42) ATMALDH1A1HIF1ALMNAPOLB
SCHEMBL23398460 0.88 RIPK2 (0.50) ATMALDH1A1LMNATSHRPOLB
SCHEMBL23401800 0.87 MAPK14 (0.38) ATMKDM4AALDH1A1LMNATSHR
SCHEMBL23403129 0.84 HIF1A (0.53) KDM4AALDH1A1HIF1AKDM4CLMNA
SCHEMBL23400570 0.83 PTGS2 (0.53) ATMALDH1A1KDM4CPTGS2CYP1A2
SCHEMBL23400695 0.82 TDP2 (0.36) ATMALDH1A1LMNATSHRCYP1A2
SCHEMBL23400833 0.81 PTGS2 (0.46) ATMALDH1A1KDM4CPTGS2LMNA
SCHEMBL23402541 0.81 ALDH1A1 (0.40) ATMKDM4AALDH1A1HIF1AKDM4C
SCHEMBL23401267 0.81 GABRA1 (0.35) ATMALDH1A1LMNATSHRCYP1A2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed