SCHEMBL4009980

SCHEMBL4009980

CCCCCCCCCCCc1cc(C(=O)NN)ccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
NAAA Q02083 1/20 0.44
CYP1A2 P05177 2/20 0.44
MPO P05164 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM5A P29375 3/20 0.43
KDM4C Q9H3R0 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
TRPV1 Q8NER1 4/20 0.41
POLB P06746 1/20 0.41
SMPD1 P17405 4/20 0.40
LNPEP Q9UIQ6 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
SCHEMBL28289385 1.00 KDM4E (0.50) KDM4ECYP3A4LMNATSHRNAAA
SCHEMBL2405138 0.99 KDM4E (0.51) KDM4ECYP3A4LMNATSHRNAAA
SCHEMBL2998832 0.88 KDM4E (0.64) KDM4ECYP3A4LMNATSHRCYP1A2
SCHEMBL29038561 0.85 LMNA (0.56) KDM4ECYP3A4LMNATSHRNAAA
SCHEMBL29038570 0.85 LMNA (0.56) KDM4ECYP3A4LMNATSHRNAAA
SCHEMBL31313418 0.84 KDM5A (0.56) KDM4ECYP3A4LMNATSHRKDM5A
SCHEMBL29184940 0.84 KDM5A (0.56) KDM4ECYP3A4LMNATSHRKDM5A
SCHEMBL3122441 0.84 KDM5A (0.56) KDM4ECYP3A4LMNATSHRKDM5A
SCHEMBL3630367 0.84 KDM4E (0.58) KDM4ECYP3A4LMNATSHRNAAA
SCHEMBL31313484 0.84 KDM5A (0.56) KDM4ECYP3A4LMNATSHRKDM5A

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