SCHEMBL23399504

SCHEMBL23399504

Cc1ccc(-c2c(O)nn(C)c2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ESRRA P11474 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ACHE P22303 1/20 0.34
MAPT P10636 3/20 0.33
TDP2 O95551 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL23398449 0.85 MAPT (0.49) HTR7KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23399541 0.83 GRM5 (0.38) KMT2AMEN1ESRRANPC1RAB9A
SCHEMBL6289612 0.81 MAPT (0.50) KMT2AMEN1ESRRANPC1RAB9A
SCHEMBL12944870 0.80 MAPT (0.47) HTR7KMT2AMEN1NPC1RAB9A
SCHEMBL23398427 0.79 GRIA2 (0.44) ESRRANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23402959 0.79 GCGR (0.37) KMT2AMEN1ESRRANPC1RAB9A
SCHEMBL23402939 0.79 ALDH1A1 (0.33) KMT2AMEN1ESRRARAB9ASMN1; SMN2
SCHEMBL23399187 0.78 SMN1; SMN2 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23403483 0.78 ESR1 (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23399699 0.78 TDP1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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