SCHEMBL10439086

SCHEMBL10439086

Cc1cc(C)c2[nH]c(CCCCl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 2/20 0.37
▸ ADORA1 P30542 1/20 0.34
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL13907870 0.82 KMT2A (0.40) KMT2APOLBADORA1MAPTKDM4E
SCHEMBL4363225 0.78 ADORA1 (0.54) KMT2APOLBADORA1MAPTKDM4E
SCHEMBL13907878 0.78 CACNA1H (0.38) KMT2APOLBADORA1MAPTMEN1
SCHEMBL10439085 0.75 KMT2A (0.46) KMT2APOLBPKMMEN1PDE10A
SCHEMBL13907881 0.74 NPC1 (0.37) KMT2APOLBADORA1MAPTMEN1
SCHEMBL13907874 0.73 CACNA1H (0.37) KMT2APOLBADORA1MAPTMEN1
SCHEMBL11749723 0.73 TSHR (0.36) KMT2APOLBADORA1MAPTKDM4E
SCHEMBL13907876 0.72 IDO1 (0.43) KMT2APOLBADORA1MAPTMEN1
SCHEMBL11316555 0.71 PGK1 (0.42) KMT2AADORA1MAPTMEN1TDP1
SCHEMBL5850166 0.70 PARP1 (0.43) KMT2APOLBMAPTKDM4EMEN1

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-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 — — EP disclosed
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