SCHEMBL22814101

SCHEMBL22814101

Cn1ccnc1CNc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
GFER P55789 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HSP90AA1 P07900 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR3C1 P04150 2/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL178407 0.85 TRPM5 (0.56) TRPM5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL104554 0.84 TRPM5 (0.52) TRPM5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL20843804 0.81 MAOA (0.52) TRPM5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7446567 0.80 TRPM5 (0.51) TRPM5ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1473418 0.79 TRPM5 (0.50) TRPM5MAPTLMNAMEN1KMT2A
SCHEMBL7444492 0.78 KLK1 (0.55) TRPM5
SCHEMBL1473306 0.77 SMN1; SMN2 (0.53) TRPM5SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL2699785 0.76 TAAR1 (0.44) TRPM5SMN1; SMN2RAB9ATP53LMNA
SCHEMBL12498384 0.75 TRPM5 (0.52) TRPM5MAPTRAB9ATP53ALDH1A1
SCHEMBL3640996 0.75 TRPM5 (0.46) TRPM5SMN1; SMN2MAPTRAB9ATP53

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
EP-3381914-B1 METHOD FOR PURIFYING BENZOPYRAN DERIVATIVE, CRYSTAL FORM THEREOF, AND METHOD FOR PREPARING CRYSTAL FORM HANLIM PHARMACEUTICAL CO LTD (KR) 2020-12-23 EP disclosed