SCHEMBL28197754

SCHEMBL28197754

O=[SH](=O)Nc1ccc(Nn2cnc3cncnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FDPS P14324 1/20 0.35
MKNK2 Q9HBH9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL27491044 0.81 HAVCR2 (0.37) HDAC1HDAC6FDPSMKNK2ALDH1A1
SCHEMBL2429098 0.81 CYP1A2 (0.41) HDAC1HDAC6FDPSALDH1A1LMNA
SCHEMBL4409381 0.74 NPC1 (0.41) FDPSALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28251675 0.71 CYP1A2 (0.42) ALDH1A1LMNACYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL7659960 0.70 CYP1A2 (0.41) ALDH1A1LMNACYP1A2CYP3A4TSHR
SCHEMBL3016798 0.69 CA2 (0.43) MEN1KMT2A
SCHEMBL27337608 0.69 HDAC1 (0.42) HDAC1HDAC6FDPSMKNK2ALDH1A1
SCHEMBL5828209 0.69 FDPS (0.40) HDAC1HDAC6FDPSMKNK2ALDH1A1
SCHEMBL3421967 0.69 FDPS (0.46) HDAC1HDAC6FDPSMKNK2ALDH1A1
SCHEMBL3021750 0.69 FDPS (0.40) HDAC1HDAC6FDPSMKNK2ALDH1A1

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
CN-107904201-A Differentiation of the human embryo stem cell to pancreatic endocrine pedigree 詹森生物科技公司 2018-04-13 CN claimed
CN-107904201-A Differentiation of the human embryo stem cell to pancreatic endocrine pedigree 詹森生物科技公司 2018-04-13 CN disclosed
CN-102272291-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2018-01-16 CN disclosed