SCHEMBL882791

SCHEMBL882791

CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.75
KCNK9 Q9NPC2 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.73
F2R P25116 1/20 0.70
MAPK1 P28482 1/20 0.67
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
MAPT P10636 1/20 0.66
ALDH1A1 P00352 4/20 0.64
JAK2 O60674 1/20 0.61
SMO Q99835 1/20 0.60
HPGD P15428 1/20 0.59

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
SCHEMBL259704 0.86 KCNK3 (0.82) KCNK3KCNK9SMN1; SMN2F2RKMT2A
SCHEMBL19491387 0.86 KCNK3 (0.78) KCNK3KCNK9SMN1; SMN2F2RMAPK1
SCHEMBL15778718 0.85 FADS1 (0.74) KCNK3KCNK9SMN1; SMN2F2RKMT2A
SCHEMBL8278422 0.84 MAPT (0.63) KCNK3KCNK9SMN1; SMN2F2RMAPK1
SCHEMBL882797 0.83 F2R (1.00) KCNK3KCNK9SMN1; SMN2F2RALDH1A1
SCHEMBL15177176 0.83 KCNK3 (1.00) KCNK3KCNK9KMT2AMEN1MAPT
SCHEMBL1203522 0.83 SMO (0.80) KCNK3KCNK9SMN1; SMN2MAPK1KMT2A
SCHEMBL811056 0.83 KCNK3 (0.68) KCNK3KCNK9SMN1; SMN2F2RKMT2A
SCHEMBL11578739 0.83 KCNK3 (0.68) KCNK3KCNK9SMN1; SMN2F2RMAPK1
SCHEMBL5668766 0.83 FADS1 (0.68) KCNK3KCNK9SMN1; SMN2MAPK1KMT2A

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