SCHEMBL6513490

SCHEMBL6513490

CN(CCOc1ccccc1)Cc1cnc(-c2ccc(Br)s2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KCNH2 Q12809 2/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HDAC1 Q13547 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6509841 0.83 HDAC1 (0.46) TSHRKDM4EALDH1A1ATMHDAC1
SCHEMBL6510292 0.83 HDAC1 (0.59) HDAC1
SCHEMBL6511431 0.81 HDAC1 (0.46) TSHRKDM4EALDH1A1ATMLTA4H
SCHEMBL6511346 0.80 HDAC1 (0.38) TSHRKDM4ELMNAHDAC1
SCHEMBL6507778 0.79 TSHR (0.40) TSHRKCNH2MAOBLTA4H
SCHEMBL6513481 0.76 TSHR (0.56) TSHRKCNH2MAOBKDM4EALDH1A1
SCHEMBL6509908 0.76 HDAC1 (0.54) KDM4EHDAC1
SCHEMBL17682060 0.73 TSHR (0.81) TSHRKCNH2MAOBKDM4EALDH1A1
SCHEMBL6509983 0.71 HDAC1 (0.76) HDAC1
SCHEMBL11681701 0.69 TSHR (0.68) TSHRKCNH2MAOBKDM4EALDH1A1

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