SCHEMBL23399779

SCHEMBL23399779

Cc1c(NC=O)c(=O)n(C)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL6812409 0.88 KDM4E (0.64) KDM4EGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL23402925 0.87 ALDH1A1 (0.58) KDM4EGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL23403548 0.82 SMN1; SMN2 (0.43) BCHEPTGS2KDM4EGAASMN1; SMN2
SCHEMBL23402983 0.82 ALDH1A1 (0.53) KDM4EGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL23401512 0.82 ALDH1A1 (0.53) KDM4EGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL23403341 0.81 GAA (0.44) BCHEPTGS2KDM4EGAASMN1; SMN2
SCHEMBL23400247 0.81 ALDH1A1 (0.44) BCHEPTGS2KDM4EGAASMN1; SMN2
SCHEMBL23401151 0.81 FPR2 (0.44) BCHEPTGS2KDM4EGAASMN1; SMN2
SCHEMBL23399012 0.81 FPR2 (0.44) BCHEPTGS2KDM4EGAASMN1; SMN2
SCHEMBL23403451 0.81 ALDH1A1 (0.44) KDM4EGAASMN1; SMN2CYP1A2CYP2D6

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