SCHEMBL23403231

SCHEMBL23403231

Cc1cccc(-c2cnn(-c3ccccc3C)c2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ADORA1 P30542 2/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
S1PR1 P21453 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAPK14 Q16539 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
NR3C1 P04150 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL23399939 0.87 ALDH1A1 (0.47) KMT2ANPC1RAB9AADORA1MAPT
SCHEMBL23398518 0.84 NPC1 (0.49) KMT2ANPC1RAB9AADORA1MAPT
SCHEMBL23401657 0.83 NPC1 (0.70) KMT2ANPC1RAB9AADORA1MAPT
SCHEMBL23401777 0.81 NPC1 (0.59) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23400911 0.81 NPC1 (0.43) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL23400195 0.80 NPC1 (0.58) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23403116 0.80 KMT2A (0.51) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23401279 0.79 MAPK14 (0.43) KMT2ARAB9AADORA1MAPTMEN1
SCHEMBL23402767 0.77 NPC1 (0.58) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL23398611 0.76 KMT2A (0.49) KMT2ANPC1RAB9AADORA1MAPT

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