SCHEMBL4004765

SCHEMBL4004765

CCCCCC(=O)N(N)C(=O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 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
SCHEMBL7550214 0.95 HDAC3 (0.44) NAAAHDAC3HDAC1HDAC2NPC1
SCHEMBL7554228 0.89 KMT2A (0.42) NAAAHDAC3HDAC1HDAC2NPC1
SCHEMBL11325678 0.87 HSD17B3 (0.49) HDAC3HDAC1HDAC2MAPTHSD17B3
SCHEMBL11679790 0.87 HSD17B3 (0.49) HDAC3HDAC1HDAC2MAPTHSD17B3
SCHEMBL11324137 0.87 HSD17B3 (0.49) HDAC3HDAC1HDAC2MAPTHSD17B3
SCHEMBL11313632 0.87 HSD17B3 (0.49) HDAC3HDAC1HDAC2MAPTHSD17B3
SCHEMBL11318345 0.87 HSD17B3 (0.49) HDAC3HDAC1HDAC2MAPTHSD17B3
SCHEMBL11325230 0.84 HDAC3 (0.47) HDAC3HDAC1HDAC2HPGDGAA
SCHEMBL3125344 0.83 CES2 (0.55) NAAANPC1LMNAHPGDMAPT
SCHEMBL7554003 0.82 KMT2A (0.45) NAAAHDAC3HDAC1HDAC2LMNA

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-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO disclosed