SCHEMBL5260607

SCHEMBL5260607

CC(c1ccc(Cl)cc1)C(CNC(=O)c1ccncc1-c1nnn[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.34
ACVR1B P36896 8/20 0.34
ACVRL1 P37023 5/20 0.34
P2RX7 Q99572 4/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 1/20 0.32
SLC6A9 P48067 1/20 0.32
POLQ O75417 1/20 0.32

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
SCHEMBL5262363 0.87 P2RX7 (0.40) P2RX7LMNAMEN1RAB9AKMT2A
SCHEMBL5260602 0.81 CNR1 (0.44)
SCHEMBL5260594 0.80 RAB9A (0.44) LMNAMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL5260359 0.77 KMT2A (0.40) MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL5262392 0.74 SLC6A9 (0.53) MEN1RAB9AKMT2ASMN1; SMN2SLC6A9
SCHEMBL5264063 0.73 PIM1 (0.44) P2RX7RAB9A
SCHEMBL5262202 0.73 TRPV1 (0.45) P2RX7
SCHEMBL5264103 0.72 CYP1A2 (0.58) LMNAMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL5264331 0.72 LMNA (0.52) LMNAMEN1KMT2ASMN1; SMN2SLC6A9
SCHEMBL5263576 0.71 RAB9A (0.46) LMNAMEN1RAB9AKMT2ASMN1; SMN2

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 7 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
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed