SCHEMBL4330728

SCHEMBL4330728

CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3csc(NC(=N)N)n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK2A1 P68400 1/20 0.45
GSTO1 P78417 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CCR4 P51679 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4331871 0.88 ADORA3 (0.58) ADORA3RAB9AKDM4EMAPTNPC1
SCHEMBL4329797 0.86 ADORA3 (0.56) ADORA3RAB9AMAPTNPC1PKM
SCHEMBL3608913 0.86 CCR4 (0.55) RAB9AKDM4EMAPTALDH1A1NPSR1
SCHEMBL4324209 0.83 RAB9A (0.44) ADORA3RAB9AKDM4EMAPTNPC1
SCHEMBL4333577 0.82 MAPT (0.53) PRSS1ACRRAB9AKDM4EMAPT
SCHEMBL4333461 0.82 RAB9A (0.53) ADORA3RAB9AKDM4EMAPTNPC1
SCHEMBL4326708 0.82 MAPT (0.53) ADORA3RAB9AMAPTNPC1PKM
SCHEMBL3615150 0.82 MEN1 (0.55) ADORA3RAB9AKDM4EMAPTNPC1
SCHEMBL4322683 0.82 MEN1 (0.60) ADORA3RAB9AKDM4EMAPTNPC1
SCHEMBL3601789 0.81 KDM4E (0.60) ADORA3RAB9AKDM4EMAPTNPC1

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-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed