SCHEMBL23401031

SCHEMBL23401031

Cc1ccc(-c2nn(-c3ccc(C)cc3)c(O)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
PTGS2 P35354 1/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
ESR1 P03372 5/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL23400133 0.92 CDK2 (0.50) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23402995 0.92 MEN1 (0.48) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23400067 0.88 CA1 (0.41) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23399418 0.86 SRC (0.50) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23402921 0.84 L3MBTL1 (0.52) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23398633 0.84 ALDH1A1 (0.44) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23402267 0.82 MEN1 (0.55) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL23401391 0.79 L3MBTL1 (0.44) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23398629 0.79 ESR1 (0.46) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23399473 0.78 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KMT2ANPC1RAB9A

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