SCHEMBL10514540

SCHEMBL10514540

Nc1c(Cl)cc(C(=O)c2cc3cc(C=C4NC(=O)SC4=O)ccc3o2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC7 Q8WUI4 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC9 Q9UKV0 4/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ FLT3 P36888 4/20 0.37
▸ CLK1 P49759 3/20 0.37
▸ DYRK1A Q13627 3/20 0.37
▸ DYRK1B Q9Y463 3/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ IGF1R P08069 1/20 0.34

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
SCHEMBL10514534 0.88 IGF1R (0.49) HDAC4IGF1RMEN1KMT2ARAB9A
SCHEMBL10514536 0.88 IGF1R (0.49) HDAC4IGF1RMEN1KMT2ARAB9A
SCHEMBL10515962 0.85 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10514674 0.85 CLK1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10514166 0.82 CSNK2A2 (0.36) CLK1DYRK1ADYRK1BCSNK2A2CSNK2B
SCHEMBL10515995 0.79 FLT3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10514663 0.73 PIM1 (0.59) HDAC4CLK1DYRK1ADYRK1BIGF1R
SCHEMBL10514668 0.73 PIM1 (0.59) HDAC4CLK1DYRK1ADYRK1BIGF1R
SCHEMBL10513572 0.72 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10515957 0.72 HDAC4 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0299620-A1 Thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1989-01-18 — — EP claimed
EP-0299620-A1 Thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1989-01-18 — — EP disclosed
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