SCHEMBL23400504

SCHEMBL23400504

CCCc1c(O)nn(C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ESR1 P03372 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL23399565 0.91 HSD11B1 (0.47) MAPTKMT2AKDM4ETSHRCYP1A2
SCHEMBL23402677 0.87 GRM5 (0.48) MAPTKMT2AHSD17B10MAPK1TSHR
SCHEMBL23400904 0.86 ESR1 (0.47) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23400897 0.84 KMT2A (0.43) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23400272 0.84 CTSS (0.41) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23399001 0.83 HTR2A (0.43) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23400887 0.82 NR1H3 (0.47) MAPTKMT2ATSHRCYP1A2ESR1
SCHEMBL23398594 0.81 CYP2C9 (0.56) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23402927 0.81 USP2 (0.38) MAPTKMT2AHSD17B10MAPK1KDM4E
SCHEMBL23403690 0.79 RECQL (0.40) MAPTKMT2AHSD17B10MAPK1TP53

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