SCHEMBL7221537

SCHEMBL7221537

CCCCCCCc1nc(-c2cscn2)cs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.43
▸ HDAC3 O15379 9/20 0.39
▸ HDAC4 P56524 9/20 0.39
▸ HDAC1 Q13547 9/20 0.39
▸ HDAC7 Q8WUI4 9/20 0.39
▸ HDAC2 Q92769 9/20 0.39
▸ HDAC10 Q969S8 9/20 0.39
▸ HDAC11 Q96DB2 9/20 0.39
▸ HDAC8 Q9BY41 9/20 0.39
▸ HDAC6 Q9UBN7 9/20 0.39
▸ HDAC9 Q9UKV0 9/20 0.39
▸ HDAC5 Q9UQL6 9/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ BAZ2A Q9UIF9 1/20 0.32

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
SCHEMBL9287380 0.87 LOXL2 (0.36) ALDH1A1KDM4ESLC6A3LOXL2
SCHEMBL9286233 0.80 TSHR (0.34) HDAC6ALDH1A1TDP1KDM4ESLC6A3
SCHEMBL2034939 0.78 LOXL2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7229049 0.76 ECE1 (0.43) ECE1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19638979 0.75 CYP19A1 (0.49) ALDH1A1TDP1KDM4E
SCHEMBL28320542 0.74 ECE1 (0.44) ECE1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12925095 0.72 ADORA2A (0.38) ALDH1A1TDP1KCNH2KDM4E
SCHEMBL27913336 0.72 LOXL2 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19304421 0.72 ALDH1A1 (0.42) ECE1ALDH1A1KCNH2KDM4ESLC6A3
SCHEMBL17374883 0.72 ECE1 (0.40) ECE1HDAC3HDAC4HDAC1HDAC7

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
US-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 — — US disclosed
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