SCHEMBL23403276

SCHEMBL23403276

Cc1ccc(-n2nc(C)c(-c3ccccc3)c2O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL23402232 0.88 CYP1A2 (0.45) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL23401255 0.88 CA1 (0.56) CA1CA2STAT1CYP1A2CYP2C19
SCHEMBL23401553 0.86 CA1 (0.47) CA1CA2TP53STAT1KMT2A
SCHEMBL14132909 0.84 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23400679 0.83 CA1 (0.52) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23403515 0.83 CA1 (0.46) CA1CA2TP53STAT1CYP1A2
SCHEMBL23402028 0.83 CA1 (0.52) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23402107 0.83 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23400553 0.82 CA1 (0.51) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL23400678 0.82 CA1 (0.51) CA1CA2SMN1; SMN2STAT1KMT2A

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