SCHEMBL534153

SCHEMBL534153

COc1ccccc1C(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
AHR P35869 1/20 0.57
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BRPF1 P55201 6/20 0.53
BRD4 O60885 4/20 0.53
BRD1 O95696 3/20 0.53
POLB P06746 3/20 0.53
BRD9 Q9H8M2 2/20 0.53
BRPF3 Q9ULD4 2/20 0.53
TAF1 P21675 1/20 0.53
CECR2 Q9BXF3 1/20 0.53
BRD7 Q9NPI1 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.49
KCNK3 O14649 2/20 0.49

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
SCHEMBL533514 0.90 RAB9A (0.51) MAPTNPC1RAB9AAHRGFER
SCHEMBL533977 0.87 GAA (0.57) MAPTRAB9AGFERPOLBKMT2A
SCHEMBL532973 0.87 MAPT (0.44) MAPTNPC1RAB9AAHRGFER
SCHEMBL533064 0.87 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2BRPF1
SCHEMBL532963 0.85 SGMS2 (0.52) NPC1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL534076 0.85 POLB (0.53) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL532801 0.84 GAA (0.48) MAPTNPC1RAB9ASMN1; SMN2BRPF1
SCHEMBL532950 0.84 KMT2A (0.56) MAPTNPC1RAB9ASMN1; SMN2BRPF1
SCHEMBL532964 0.84 L3MBTL1 (0.47) MAPTNPC1RAB9ASMN1; SMN2BRPF1
SCHEMBL532983 0.83 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed