SCHEMBL882771

SCHEMBL882771

Cc1ccccc1C(=O)Nc1cccc(NC(=O)CC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 1.00
KCNK3 O14649 3/20 0.64
KCNK9 Q9NPC2 3/20 0.64
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 4/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
RAB9A P51151 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.56
GAA P10253 1/20 0.55
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL11668137 0.85 KCNK3 (0.84) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL874580 0.85 F2R (1.00) F2RALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL882806 0.82 F2R (1.00) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL9615323 0.79 FADS1 (0.72) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL19491367 0.79 HPGD (0.78) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL19501276 0.79 HPGD (0.69) F2RALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL533767 0.78 KCNK3 (0.81) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
Mepronil SCHEMBL20522512 0.78 KCNK3 (0.67) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
Mepronil SCHEMBL18447 0.78 KCNK3 (0.67) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
Mepronil SCHEMBL29453871 0.78 KCNK3 (0.67) F2RKCNK3KCNK9ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed