SCHEMBL5672553

SCHEMBL5672553

CCCc1ccccc1/C=C/C(=O)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGER4 P35408 4/20 0.40
▸ PTGER3 P43115 4/20 0.40
▸ PTGER2 P43116 4/20 0.40
▸ HTT P42858 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL5434519 0.90 HDAC8 (0.45) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL5434522 0.90 HDAC8 (0.45) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL30071567 0.90 HDAC8 (0.45) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL5430622 0.80 HTT (0.43) ALDH1A1HDAC8HDAC6HDAC1LMNA
SCHEMBL30071721 0.80 HTT (0.43) ALDH1A1HDAC8HDAC6HDAC1LMNA
SCHEMBL5430618 0.80 HTT (0.43) ALDH1A1HDAC8HDAC6HDAC1LMNA
SCHEMBL5670302 0.80 HTT (0.41) ALDH1A1HDAC8HDAC6HDAC1HDAC3
Guanidine SCHEMBL27709639 0.78 HTT (0.42) ALDH1A1HDAC8HDAC6HDAC1LMNA
SCHEMBL30071741 0.78 LMNA (0.55) ALDH1A1HDAC8HDAC6HDAC1HDAC3
SCHEMBL5434722 0.78 LMNA (0.55) ALDH1A1HDAC8HDAC6HDAC1HDAC3

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-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 — — EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 — — WO claimed
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