SCHEMBL882779

SCHEMBL882779

CCCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.69
HTT P42858 2/20 0.65
LMNA P02545 2/20 0.65
F2R P25116 2/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HIF1A Q16665 1/20 0.61
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL3637836 0.87 HDAC3 (0.65) KCNK3HTTLMNAMEN1KMT2A
SCHEMBL10069466 0.84 F2R (0.82) KCNK3HTTF2RMEN1KMT2A
SCHEMBL17354443 0.84 KMT2A (0.78) HTTF2RMEN1KMT2ATSHR
SCHEMBL8278813 0.82 LMNA (0.78) LMNASMN1; SMN2
SCHEMBL24933360 0.82 RAB9A (0.73) KCNK3HTTLMNAMEN1KMT2A
SCHEMBL10975643 0.80 F2R (0.73) F2RRAB9A
SCHEMBL259177 0.80 TDP1 (0.78) KCNK3HTTLMNAMEN1KMT2A
SCHEMBL25155011 0.79 LMNA (1.00) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3634265 0.79 RAB9A (0.69) LMNAKMT2ASMN1; SMN2HIF1ARAB9A
SCHEMBL874202 0.79 F2R (0.70) KCNK3HTTF2RMEN1KMT2A

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