SCHEMBL23399648

SCHEMBL23399648

Cc1ccc(-n2c(=O)c(N)c(C(C)(C)C)n2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 1/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL23403584 0.92 BCHE (0.53) BCHEPTGS2ALDH1A1KDM4ECYP1A2
SCHEMBL23402987 0.87 BCHE (0.47) BCHEPTGS2ALDH1A1HPGDL3MBTL1
SCHEMBL23402159 0.84 LMNA (0.47) BCHEPTGS2ALDH1A1CYP1A2CYP2C9
SCHEMBL23402363 0.82 BCHE (0.48) BCHEPTGS2ALDH1A1PKMHKDC1
SCHEMBL23403026 0.81 BCHE (0.65) BCHEPTGS2ALDH1A1KDM4EHPGD
SCHEMBL23401247 0.81 BCHE (0.65) BCHEPTGS2ALDH1A1KDM4EHPGD
SCHEMBL23401048 0.80 BCHE (0.54) BCHEPTGS2ALDH1A1KDM4ECYP1A2
SCHEMBL23400447 0.78 BCHE (0.45) BCHEPTGS2ALDH1A1KDM4ECYP1A2
SCHEMBL23402523 0.77 BCHE (0.51) BCHEPTGS2ALDH1A1KDM4EHPGD
SCHEMBL23401596 0.76 BCHE (0.43) BCHEPTGS2ALDH1A1KDM4ECYP1A2

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