SCHEMBL9268443

SCHEMBL9268443

Cn1cc(C=O)cc1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 6/20 0.66
POLB P06746 2/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
UNG P13051 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL5220639 0.84 HDAC10 (0.49) HDAC10POLBHDAC8HDAC3HDAC4
SCHEMBL11296235 0.80 HDAC10 (0.45) HDAC10HDAC8ALDH1A1KMT2A
SCHEMBL1441399 0.79 HDAC8 (0.47) HDAC10POLBHDAC8UNGALDH1A1
SCHEMBL10938419 0.78 HDAC10 (0.55) HDAC10POLBHDAC8HDAC3HDAC4
SCHEMBL10939166 0.74 HDAC10 (0.51) HDAC10POLBHDAC8HDAC3HDAC4
SCHEMBL10940181 0.73 TSHR (0.55) HDAC10POLBHDAC8HDAC3HDAC4
SCHEMBL10938383 0.73 HDAC10 (0.50) HDAC10POLBSMN1; SMN2KMT2AATM
SCHEMBL5664807 0.72 ATM (0.72) HDAC10HDAC8HDAC3HDAC4HDAC1
SCHEMBL20139683 0.72 KMT2A (0.51) POLBALDH1A1KMT2AMEN1
SCHEMBL1149847 0.71 CYP2C9 (0.60) HDAC10POLBHDAC8HDAC3HDAC4

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-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 WO disclosed