SCHEMBL8033071

SCHEMBL8033071

COc1ccc(-c2nnn3c2CNCc2cc(F)ccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GPR84 Q9NQS5 1/20 0.35
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35

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 0.91 POLB (0.39) LMNAPOLBL3MBTL1RAB9ANPC1
SCHEMBL8028113 0.90 NPC1 (0.40) RAB9ANPC1
SCHEMBL8031252 0.88 POLB (0.40) LMNAPOLBL3MBTL1RAB9ANPC1
SCHEMBL14996193 0.85 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4EHTT
SCHEMBL8035257 0.84 ALDH1A1 (0.43) LMNAPOLBL3MBTL1RAB9ANPC1
SCHEMBL8031216 0.83 KCNN4 (0.38) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL13002499 0.80 KMT2A (0.40) LMNAL3MBTL1RAB9ANPC1MAPT
SCHEMBL14996189 0.80 CYP1A2 (0.39) RAB9ANPC1
SCHEMBL8033068 0.79 NPC1 (0.37) RAB9ANPC1
SCHEMBL14996188 0.77 NPC1 (0.38) RAB9ANPC1KMT2ANPSR1

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