SCHEMBL4856786

SCHEMBL4856786

C=C(N)C=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PLIN1 O60240 2/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 2/20 0.56
PLIN5 Q00G26 2/20 0.56
ABHD5 Q8WTS1 2/20 0.56
TNKS O95271 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56

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
SCHEMBL12252392 1.00 MAPT (0.56) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL20192382 0.82 MAPT (0.48) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12261578 0.82 MAPT (0.58) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1999708 0.82 MAPT (0.58) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL869685 0.82 MAPT (0.58) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1999706 0.82 MAPT (0.58) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3279786 0.81 MAPT (0.57) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1629733 0.81 MAPT (0.57) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27640189 0.80 MAPT (0.56) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL30688107 0.78

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-2008149033-A2 PROCESS OF MODIFYING DITHIOCARBONYL POLYMERS BY BRINGING INTO CONTACT WITH AMINE FUNCTIONAL GROUPS BORNE BY A SOLID SUBSTRATE RHODIA OPERATIONS (FR) 2008-12-11 WO disclosed