SCHEMBL19953382

SCHEMBL19953382

CC(C)(C)c1ccc2oc(CN)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GFER P55789 1/20 0.51
F2RL3 Q96RI0 3/20 0.44
FBP1 P09467 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRK6 P43250 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4905164 0.88 LOXL2 (0.55) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL11337498 0.87 NPC1 (0.47) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL21341477 0.85 GAA (0.52) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL30612627 0.84 PON1 (0.46) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL485730 0.84 PON1 (0.46) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL30358398 0.81 NPC1 (0.46) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL28876443 0.81 NPC1 (0.46) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL31070857 0.80 NPC1 (0.42) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL6555412 0.80 NPC1 (0.42) NPC1RAB9AGFERF2RL3FBP1
SCHEMBL25054111 0.79 NPC1 (0.47) NPC1RAB9AGFERF2RL3FBP1

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed