SCHEMBL4002805

SCHEMBL4002805

CCSC(=O)N(N)C(=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2A6 P11509 1/20 0.41
MLYCD O95822 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6503060 0.78 NAPRT (0.52) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7554003 0.78 KMT2A (0.45) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1415951 0.75 KDM4E (0.49) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7554228 0.75 KMT2A (0.42) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2988329 0.75 NAPRT (0.48) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27854800 0.74 KDM4E (0.47) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1648241 0.73 NAPRT (0.46) NOS1KDM4ENOS3NOS2KMT2A
SCHEMBL7550214 0.73 HDAC3 (0.44) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4008468 0.72 KDM4E (0.42) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4004765 0.72 NAAA (0.47) KDM4EKMT2ACYP1A2CYP3A4CYP2D6

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