SCHEMBL23399050

SCHEMBL23399050

Cc1ccc(-c2c(C)nn(C)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CDK8 P49336 1/20 0.40
ACVR1 Q04771 1/20 0.40
POLB P06746 1/20 0.40
HTR7 P34969 1/20 0.38
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
ESRRA P11474 1/20 0.36
KMT2A Q03164 4/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL23401154 0.85 MAPT (0.62) MAPTCDK8ACVR1POLBLMNA
SCHEMBL17295117 0.84 MAPT (0.41) MAPTCDK8ACVR1POLBHTR7
SCHEMBL17290531 0.84 MAPT (0.41) MAPTCDK8ACVR1POLBHTR7
SCHEMBL23400422 0.83 MAPK14 (0.40) MAPTPOLBLMNAESRRAKMT2A
SCHEMBL23399022 0.82 HEXA (0.44) MAPTPOLBLMNAPKMESRRA
SCHEMBL6289610 0.81 USP7 (0.39) MAPTCDK8ACVR1POLBLMNA
SCHEMBL12944870 0.80 MAPT (0.47) MAPTCDK8ACVR1POLBHTR7
SCHEMBL23400427 0.79 LMNA (0.33) MAPTPOLBLMNAESRRARAB9A
SCHEMBL23402413 0.79 GCGR (0.40) MAPTLMNAESRRAKMT2AMEN1
SCHEMBL22143978 0.79 MAPT (0.48) MAPTPOLBLMNAPKMKMT2A

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