SCHEMBL5262364

SCHEMBL5262364

CC(c1ccc(Cl)cc1)C(CNC(=O)c1ncccc1Br)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
S1PR3 Q99500 3/20 0.41
S1PR1 P21453 2/20 0.41
FFAR2 O15552 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
FTO Q9C0B1 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL5261544 0.81 TLR7 (0.52) TLR7MEN1KMT2ARAB9ANPC1
SCHEMBL5263362 0.78 KMT2A (0.41) S1PR3S1PR1MEN1KMT2ARAB9A
SCHEMBL5262360 0.78 CNR1 (0.52)
SCHEMBL5266049 0.77 RAB9A (0.60) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5263458 0.77 L3MBTL1 (0.42) FFAR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5261775 0.77 NSD2 (0.52) MEN1KMT2AP2RX7ALDH1A1LMNA
SCHEMBL5262392 0.77 SLC6A9 (0.53) FFAR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5260011 0.77 EGLN1 (0.41) S1PR3S1PR1MEN1KMT2ARAB9A
SCHEMBL5262774 0.76 SLC6A9 (0.54) MEN1KMT2ARAB9ASMN1; SMN2P2RX7
SCHEMBL5261011 0.76 ALDH1A1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2P2RX7

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-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP claimed
JP-2005527586-A 2005-09-15 JP claimed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP claimed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed