SCHEMBL23399108

SCHEMBL23399108

Cc1cccc(-c2nn(C)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
JMJD6 Q6NYC1 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RIPK2 O43353 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRAF P15056 1/20 0.39
TGFBR1 P36897 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL23398810 0.81 SRC (0.43) IDO1GABRA1GABRB2L3MBTL1RIPK2
SCHEMBL21281611 0.80 KMT2A (0.44) L3MBTL1SMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL23402971 0.80 TLR8 (0.40) IDO1JMJD6GABRA1GABRB2RIPK2
SCHEMBL13240021 0.80 L3MBTL1 (0.49) IDO1JMJD6GABRA1GABRB2L3MBTL1
SCHEMBL23401377 0.80 RIPK2 (0.47) IDO1GABRA1GABRB2L3MBTL1RIPK2
SCHEMBL23400164 0.80 TRPM8 (0.41) IDO1JMJD6GABRA1GABRB2RIPK2
SCHEMBL23400477 0.80 ALDH1A1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL23400663 0.79 RAB9A (0.43) GABRA1GABRB2L3MBTL1NPC1RAB9A
SCHEMBL23400218 0.78 ALDH1A1 (0.54) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL23399543 0.78 MEN1 (0.50) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2

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