SCHEMBL5049010

SCHEMBL5049010

COc1ccc(-c2cnc(Nc3ccc(CC(C)N4CCC(C(=O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 2/20 0.44
▸ DCUN1D1 Q96GG9 2/20 0.44
▸ CHRM3 P20309 1/20 0.43
▸ NEK2 P51955 1/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ ACACB O00763 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ SYK P43405 1/20 0.38

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
SCHEMBL3647350 0.84 PTK2 (0.46) UBE2MDCUN1D1PTK2ACACBSYK
SCHEMBL1735359 0.83 OPRM1 (0.46) NEK2HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL1734487 0.83 OPRM1 (0.45) NEK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL1735223 0.81 S1PR5 (0.52) PTK2LMNA
SCHEMBL3647478 0.81 EGFR (0.44) UBE2MDCUN1D1PTK2
SCHEMBL1735235 0.80 LTA4H (0.52) NEK2HDAC1HDAC6KMT2ASYK
SCHEMBL13605487 0.80 DRD3 (0.44) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL1735211 0.78 KDM4E (0.58) MEN1KMT2ALMNA
SCHEMBL1735247 0.78 HRH3 (0.44) HDAC3HDAC1HDAC2HDAC6DGAT1
SCHEMBL1735216 0.78 HDAC3 (0.43) NEK2HDAC3HDAC1HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928236-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM, LLC (BM) 2008-06-11 — — EP disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 — — WO disclosed
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