SCHEMBL7517030

SCHEMBL7517030

COc1cc(C(=O)NC(=O)[C@@H]2CCCN2)c2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.46
KDM4E B2RXH2 1/20 0.43
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 2/20 0.38

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
SCHEMBL9394978 0.81 MMP3 (0.48) KDM4EHTR2CHTR2B
SCHEMBL11121066 0.80 KDM4E (0.47) KDM4EHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7267342 0.80 KDM4E (0.47) KDM4EHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL8419532 0.79 PLK1 (0.53) CDC25BKDM4EHTR2CHTR2BCYP1A2
SCHEMBL13570608 0.78 TDP1 (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4613236 0.76 MEN1 (0.45) KDM4EHTR2CHTR2BRAB9A
SCHEMBL13570366 0.76 GPR6 (0.49) RAB9A
SCHEMBL7511740 0.74 GPR6 (0.46) HTR2CHTR2BRAB9A
SCHEMBL8416489 0.74 KDM4E (0.47) KDM4EHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL9643299 0.73 AAK1 (0.50) KDM4EHTR2CHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US claimed
WO-2000065347-A9 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH PROCTER & GAMBLE (US) 2002-02-21 WO disclosed
EP-1173758-A2 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH The Procter & Gamble Company (US) 2002-01-23 EP disclosed
EP-1173759-A2 DISPOSABLE ARTICLES AND OTHER ARTICLES COMPRISING A DETECTION DEVICE THE PROCTER & GAMBLE COMPANY (US) 2002-01-23 EP disclosed
WO-2000065347-A2 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 WO disclosed
WO-2000065348-A2 DISPOSABLE ARTICLES AND OTHER ARTICLES COMPRISING A DETECTION DEVICE THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 WO disclosed
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 WO disclosed