SCHEMBL6014615

SCHEMBL6014615

Cc1cc(NC(=O)Nc2ccc(N)cc2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
MAPT P10636 1/20 0.61
EPHX1 P07099 2/20 0.56
EPHX2 P34913 2/20 0.56
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
PDE3A Q14432 1/20 0.54
NLRP3 Q96P20 1/20 0.54
CA2 P00918 4/20 0.54
BLM P54132 2/20 0.51

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
SCHEMBL11195209 0.87 MEN1 (0.72) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL14680572 0.87 RAB9A (0.67) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL16942616 0.86 IDH1 (0.57) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL14550419 0.85 EPHX1 (0.58) RAB9AEPHX1EPHX2NPC1SMN1; SMN2
SCHEMBL15975496 0.85 EPHX1 (0.79) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL12973528 0.85 EPHX1 (0.79) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL4118595 0.81 IDH1 (0.58) RAB9AMAPTEPHX1EPHX2NPC1
SCHEMBL13969412 0.81 EPHX2 (0.53) RAB9AEPHX1EPHX2NPC1SMN1; SMN2
SCHEMBL13945726 0.81 EPHX1 (0.53) RAB9AEPHX1EPHX2NPC1SMN1; SMN2
SCHEMBL14550519 0.81 RAB9A (0.69) RAB9AMAPTNPC1SMN1; SMN2MEN1

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-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP disclosed