SCHEMBL4552257

SCHEMBL4552257

Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(NCC(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
PLAU P00749 1/20 0.44
MAPK14 Q16539 5/20 0.42
CYP1A2 P05177 1/20 0.41
DGAT1 O75907 1/20 0.41
RAF1 P04049 6/20 0.40
BRAF P15056 6/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR183 P32249 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
SCHEMBL4552349 0.93 MAPT (0.40) MAPK14ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4541431 0.92 MAPT (0.41) MAPK14ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4552259 0.91 MAPK14 (0.48) PLAUMAPK14RAF1BRAF
SCHEMBL4551754 0.89 PLAU (0.46) PDE4BPLAUMAPK14CYP1A2DGAT1
SCHEMBL4551615 0.86 PDE4B (0.45) PDE4BPLAUMAPK14CYP1A2DGAT1
SCHEMBL4552351 0.84 MAPK14 (0.44) PLAUMAPK14ALDH1A1MAPTRAB9A
SCHEMBL4541485 0.83 MAPT (0.42) PDE4BMAPK14ALDH1A1MAPTRAB9A
SCHEMBL4541434 0.83 MAPK14 (0.43) MAPK14ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4543574 0.83 RAB9A (0.43) MAPK14ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4551772 0.82 PDE4B (0.43) PDE4BPLAUMAPK14CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed