SCHEMBL23401247

SCHEMBL23401247

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.65
PTGS2 P35354 1/20 0.65
ALDH1A1 P00352 7/20 0.51
ALOX15 P16050 2/20 0.44
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
FPR2 P25090 1/20 0.42
CYP1A2 P05177 3/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 4/20 0.40
USP2 O75604 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL23403026 1.00 BCHE (0.65) BCHEPTGS2ALDH1A1ALOX15TSHR
SCHEMBL3695114 0.93 BCHE (0.73) BCHEPTGS2ALDH1A1ALOX15TSHR
SCHEMBL23400760 0.85 BCHE (0.59) BCHEPTGS2ALDH1A1ALOX15KMT2A
SCHEMBL23401173 0.85 BCHE (0.59) BCHEPTGS2ALDH1A1ALOX15KMT2A
SCHEMBL23403586 0.84 BCHE (0.58) BCHEPTGS2ALDH1A1TSHRPOLB
SCHEMBL23400322 0.84 BCHE (0.58) BCHEPTGS2ALDH1A1TSHRPOLB
SCHEMBL23402523 0.82 BCHE (0.51) BCHEPTGS2ALDH1A1ALOX15TSHR
SCHEMBL23400840 0.81 BCHE (0.50) BCHEPTGS2ALDH1A1ALOX15TSHR
SCHEMBL23399648 0.81 BCHE (0.50) BCHEPTGS2ALDH1A1ALOX15TSHR
SCHEMBL23402739 0.80 BCHE (0.61) BCHEPTGS2ALDH1A1ALOX15TSHR

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