SCHEMBL1408109

SCHEMBL1408109

Cc1c(C)c(C2CCCCC2)c(C2CCCCC2)c(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAT2A P31153 3/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ AKT2 P31751 1/20 0.33
▸ CDK8 P49336 1/20 0.33

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
SCHEMBL5680295 0.75 HPGD (0.41) HPGDKMT2AMAPTMEN1RAB9A
SCHEMBL28420979 0.72 POLB (0.36) HPGDKMT2AMAPTMEN1RAB9A
SCHEMBL30576990 0.72 POLB (0.36) HPGDKMT2AMAPTMEN1RAB9A
SCHEMBL28435916 0.72 ABCB1 (0.37) HPGDKMT2AMAPTMEN1RAB9A
Phosphine SCHEMBL1505614 0.72 POLB (0.34) HPGDKMT2AMAPTMEN1RAB9A
SCHEMBL28435918 0.72 ABCB1 (0.37) HPGDKMT2AMAPTMEN1RAB9A
SCHEMBL28457190 0.70 AKT2 (0.48) HPGDKMT2AMAPTRAB9ANPSR1
SCHEMBL27400436 0.70 BRD4 (0.44) HPGDKMT2AMAPTRAB9ANPSR1
SCHEMBL12815311 0.70 HPGD (0.35) HPGDKMT2AMAPTMEN1RAB9A
Phosphine SCHEMBL5609398 0.70 MEN1 (0.36) HPGDKMT2AMAPTMEN1RAB9A

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-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 — — EP disclosed
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