SCHEMBL8843375

SCHEMBL8843375

Cn1nnnc1C(CC(N)=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 3/20 0.45
GHSR Q92847 11/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8843072 0.78 NPC1 (0.43) HDAC6GHSRALDH1A1POLBRAB9A
SCHEMBL8843372 0.74 DAGLA (0.41) HDAC6HDAC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8844341 0.72 LMNA (0.43) HDAC6HDAC1ALDH1A1POLBHDAC3
SCHEMBL28264986 0.70 SIGMAR1 (0.58) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL6320472 0.69 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL8843638 0.68 HIF1A (0.43) HDAC6HDAC1ALDH1A1POLBHDAC3
SCHEMBL8843575 0.68 NPC1 (0.45) HDAC6HDAC1GHSRALDH1A1POLB
SCHEMBL4783916 0.68 ALDH1A1 (0.40) ALDH1A1RAB9A
SCHEMBL7348202 0.67 ALDH1A1 (0.56) ALDH1A1RAB9A
SCHEMBL7348196 0.67 ALDH1A1 (0.56) ALDH1A1RAB9A

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed