SCHEMBL4002804

SCHEMBL4002804

CCSC(=O)c1cc(C(=O)NN)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MPO P05164 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
FTO Q9C0B1 4/20 0.40
ALKBH5 Q6P6C2 3/20 0.40
KDM5A P29375 2/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40

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
SCHEMBL7171815 0.81 KDM4E (0.57) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2345028 0.80 KDM4E (0.52) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL4008467 0.77 KDM4E (0.45) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL28851024 0.76 KDM4E (0.47) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL4004764 0.74 FAAH (0.43) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2989555 0.73 CYP1A2 (0.60) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL30637340 0.73 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL1543956 0.73 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL6937622 0.72 METAP2 (0.50) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL11155559 0.71 KDM4E (0.49) KDM4EMPOCYP3A4CYP1A2ADORA3

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