SCHEMBL8029754

SCHEMBL8029754

COc1ccccc1-c1nnn2c1CNCc1cc(F)c(F)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.40
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR7 P34969 4/20 0.35
TGFBR1 P36897 1/20 0.35
PDE10A Q9Y233 1/20 0.34
DHODH Q02127 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2B P41595 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL8031216 0.89 KCNN4 (0.38) KCNN4ALDH1A1HPGDSMN1; SMN2HTR7
SCHEMBL8029354 0.89 KCNN4 (0.38) KCNN4ALDH1A1HPGDSMN1; SMN2HTR7
SCHEMBL14996192 0.89 KCNN4 (0.43) KCNN4ALDH1A1MEN1MAPTKMT2A
SCHEMBL13002561 0.85 KCNN4 (0.38) KCNN4ALDH1A1HTR7DHODHMEN1
SCHEMBL8031257 0.85 KCNN4 (0.41) KCNN4ALDH1A1HPGDSMN1; SMN2HTR7
SCHEMBL13059500 0.83 DHODH (0.33) SMN1; SMN2DHODHMAPTRAB9A
SCHEMBL8033819 0.83 NPC1 (0.42) SMN1; SMN2DHODHMAPTRAB9ADPP4
SCHEMBL8031252 0.82 POLB (0.40) ALDH1A1SMN1; SMN2PDE10ADHODHMAPT
SCHEMBL8033068 0.80 NPC1 (0.37) DHODHRAB9ADPP4
SCHEMBL14996191 0.78 KCNN4 (0.41) KCNN4PDE10AMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed