SCHEMBL23403116

SCHEMBL23403116

Cc1cccc(-c2cnn(-c3ccc(C)c(C)c3)c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NR3C1 P04150 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL23401777 0.89 NPC1 (0.59) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23400195 0.87 NPC1 (0.58) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23402631 0.87 CA1 (0.47) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL23402265 0.85 SMN1; SMN2 (0.48) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23401657 0.85 NPC1 (0.70) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23402767 0.82 NPC1 (0.58) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23403231 0.80 KMT2A (0.52) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23403524 0.79 MAPT (0.45) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23398537 0.79 NPC1 (0.51) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23402682 0.76 MAPT (0.49) KMT2ANPC1RAB9AMAPTMEN1

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