SCHEMBL10439609

SCHEMBL10439609

N#CCc1cccc(Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ MMP3 P08254 1/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ PAK1 Q13153 4/20 0.36
▸ STK10 O94804 1/20 0.36
▸ SLK Q9H2G2 1/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL10439648 0.84 RAPGEF4 (0.40) LMNAMAPTRAPGEF4TOP2ATOP2B
SCHEMBL10439644 0.83 NPC1 (0.48) NPC1LMNAMAPTHTTENPP2
SCHEMBL11232526 0.81 MAPT (0.49) NPC1LMNAMAPTHTTENPP2
SCHEMBL10439645 0.78 RAPGEF4 (0.42) LMNAMAPTRAPGEF4TOP2ATOP2B
SCHEMBL10439857 0.78 TOP2A (0.56) ENPP2RAPGEF4TOP2ATOP2BABL1
SCHEMBL10439650 0.75 RAPGEF4 (0.41) LMNAMAPTRAPGEF4TDP1TOP2A
SCHEMBL2062260 0.75 BCL6 (0.42) ACP1PAK1TNIK
SCHEMBL24082862 0.74 ENPP2 (0.49) NPC1LMNAMAPTHTTENPP2
SCHEMBL1425327 0.73 PTGS2 (0.54) —
SCHEMBL3203509 0.73 ROCK1 (0.46) NPC1ACP1CCNA2CDK2CCNA1

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-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 — — EP disclosed
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