SCHEMBL6509841

SCHEMBL6509841

CN(CCOc1ccccc1)Cc1cnc(-c2ccc(C(=O)O)s2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
TSHR P16473 1/20 0.45
NR4A2 P43354 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACKR3 P25106 3/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6511431 0.93 HDAC1 (0.46) HDAC1TSHRKDM4EALDH1A1ATM
SCHEMBL6510292 0.91 HDAC1 (0.59) HDAC1ACKR3
SCHEMBL6513490 0.83 TSHR (0.48) HDAC1TSHRKDM4EALDH1A1ATM
SCHEMBL6509983 0.79 HDAC1 (0.76) HDAC1
SCHEMBL6507970 0.76 HDAC1 (0.52) HDAC1NR4A2KDM4EALDH1A1ACKR3
SCHEMBL8293231 0.73 HDAC1 (0.62) HDAC1KDM4EKMT2A
SCHEMBL14569771 0.72 TSHR (0.69) TSHRNR4A2KDM4EALDH1A1ATM
SCHEMBL6533816 0.72 RAB9A (0.41) HDAC1TSHRKDM4EALDH1A1
SCHEMBL6531527 0.72 HDAC1 (0.50) HDAC1ACKR3
SCHEMBL17682060 0.71 TSHR (0.81) TSHRKDM4EALDH1A1ATMMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed