SCHEMBL1378693

SCHEMBL1378693

N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1[C@]1(C(F)(F)F)CC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1378695 1.00 SMN1; SMN2 (0.41) SMN1; SMN2GABRPGABRDGABRA1GABRB1
Sisapronil SCHEMBL1382428 0.85 GABRP (0.57) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL2005220 0.81 ALDH1A1 (0.49) SMN1; SMN2LMNAPOLBMAPTL3MBTL1
SCHEMBL2005218 0.81 ALDH1A1 (0.49) SMN1; SMN2LMNAPOLBMAPTL3MBTL1
SCHEMBL6965080 0.79 GABRP (0.47) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL2000291 0.79 GABRP (0.57) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL1378247 0.78 GABRP (0.43) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL28723372 0.77 GABRP (0.42) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL2005481 0.76 GABRP (0.59) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL1752006 0.75 GABRP (0.58) SMN1; SMN2GABRPGABRDGABRA1GABRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805164-B2 2011-11-02 JP claimed