SCHEMBL10998980

SCHEMBL10998980

CNC(=N)NC(=O)/C=C/c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
EGFR P00533 1/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
HDAC1 Q13547 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL10998978 1.00 HDAC8 (0.41) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL6938966 0.92 HDAC8 (0.44) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL10997112 0.85 ALDH1A1 (0.49) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL10997106 0.85 ALDH1A1 (0.49) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL10990796 0.84 LMNA (0.50) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL10990800 0.84 LMNA (0.50) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL17151526 0.84 MMP1 (0.46) HDAC8HDAC6SMN1; SMN2MMP1MMP2
SCHEMBL10997872 0.84 HDAC1 (0.60) HDAC8HDAC6SMN1; SMN2TP53MAPT
SCHEMBL10997871 0.84 HDAC1 (0.60) HDAC8HDAC6SMN1; SMN2TP53MAPT
SCHEMBL10992670 0.83 KMT2A (0.42) SMN1; SMN2MMP1MMP2MMP9TP53

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
US-4544670-A ANTIPROTOZOA AGENTS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS WILLIAM H. RORER, INC. (US) 1985-10-01 US disclosed