SCHEMBL8031252

SCHEMBL8031252

COc1ccc(-c2nnn3c2CNCc2cc(F)c(F)cc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
DHODH Q02127 1/20 0.33
LTA4H P09960 1/20 0.33
PDE10A Q9Y233 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL8019842 0.88 POLB (0.39) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL8033071 0.88 LMNA (0.39) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL8033068 0.87 NPC1 (0.37) NPC1RAB9ADHODHDPP4
SCHEMBL8033819 0.84 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL8035257 0.82 ALDH1A1 (0.43) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL8029754 0.82 KCNN4 (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2DHODH
SCHEMBL13002508 0.80 KMT2A (0.36) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13002561 0.76 KCNN4 (0.38) ALDH1A1MAPTNPC1RAB9ATDP1
SCHEMBL13059500 0.74 DHODH (0.33) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14996192 0.73 KCNN4 (0.43) ALDH1A1MAPT

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
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed