SCHEMBL7416168

SCHEMBL7416168

CC(CC(=O)NO)NC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HDAC1 Q13547 3/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC8 Q9BY41 1/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ECE1 P42892 1/20 0.48
ADAM17 P78536 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL7471469 0.83 HDAC1 (0.58) LMNAHDAC1HDAC6HDAC8THRB
SCHEMBL24567733 0.82 LMNA (0.67) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL21467402 0.82 LMNA (0.67) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL30557508 0.82 LMNA (0.67) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL28115691 0.82 LMNA (0.67) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL10894691 0.81 LMNA (0.65) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL5553285 0.81 LMNA (0.65) LMNAHDAC1HDAC6THRBRAB9A
SCHEMBL7421790 0.81 KMT2A (0.60) LMNAHDAC1HDAC6HDAC8THRB
SCHEMBL7415740 0.80 EPHX2 (0.54) LMNAHDAC1HDAC6RAB9ANPC1
Nicaraven SCHEMBL31420006 0.80 KMT2A (0.66) LMNAHDAC1HDAC6THRBRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed