SCHEMBL10568600

SCHEMBL10568600

COC(=O)NNC(=O)/C=C/c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
HDAC3 O15379 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
EGFR P00533 6/20 0.56
MMP1 P03956 6/20 0.55
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
DEGS1 O15121 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL10568605 1.00 ALDH1A1 (1.00) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11704209 0.87 HDAC3 (0.76) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11704206 0.87 HDAC3 (0.76) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL7670344 0.84 ALDH1A1 (0.73) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL22843784 0.84 ALDH1A1 (0.72) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11707129 0.83 MMP1 (0.73) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11707124 0.83 MMP1 (0.73) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL31528743 0.83 MMP1 (0.73) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11708973 0.81 MMP1 (0.71) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL11708981 0.81 MMP1 (0.71) ALDH1A1HDAC3HDAC4HDAC1HDAC2

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
US-4883907-A Carbazates EGIS GYOGYSZERGYAR (HU) 1989-11-28 US disclosed
US-4824670-A ANIMAL FEEDS EGIS GYOGYSZERGYAR (HU) 1989-04-25 US disclosed