SCHEMBL23403221

SCHEMBL23403221

CCc1c(-c2ccccc2)nn(-c2ccccc2C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.43
FABP3 P05413 3/20 0.39
FABP4 P15090 3/20 0.39
FABP5 Q01469 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 1/20 0.36
MAPK13 O15264 1/20 0.36

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
SCHEMBL23399824 0.92 KMT2A (0.41) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL23401492 0.89 MAPT (0.45) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23400416 0.88 ALDH1A1 (0.40) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23401593 0.88 ALDH1A1 (0.42) ALDH1A1TSHRPTGDR2KMT2AADORA3
SCHEMBL23403396 0.86 TP53 (0.36) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23402297 0.85 ALDH1A1 (0.42) ALDH1A1TSHRFABP4PTGDR2MEN1
SCHEMBL23402809 0.82 KMT2A (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL23400820 0.82 KMT2A (0.48) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL23402893 0.82 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL23402414 0.82 ALDH1A1 (0.49) ALDH1A1TSHRFABP3FABP4FABP5

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