SCHEMBL7015774

SCHEMBL7015774

c1ccc(Oc2ccc(-n3ccnc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
CYP3A4 P08684 8/20 0.54
CYP2D6 P10635 6/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP19A1 P11511 3/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP2A6 P11509 1/20 0.49
NOS2 P35228 1/20 0.47
CYP2C9 P11712 5/20 0.47
CYP1A2 P05177 3/20 0.47
ADH5 P11766 1/20 0.45
CYP2C19 P33261 2/20 0.44

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
SCHEMBL7653307 0.81 KDM4E (0.59) ALOX15TSHRKDM4EUSP2POLB
SCHEMBL7005980 0.81 CYP3A4 (0.69) ALOX15TSHRCYP3A4CYP2D6MEN1
Hydrochloric Acid SCHEMBL7653313 0.79 KDM4E (0.57) ALOX15TSHRKDM4EUSP2POLB
SCHEMBL7010266 0.77 MEN1 (0.75) ALOX15TSHRCYP3A4CYP2D6MEN1
SCHEMBL10512975 0.73 LMNA (0.62) ALOX15TSHRCYP3A4CYP2D6MEN1
SCHEMBL7011928 0.72 CYP3A4 (0.46) ALOX15TSHRCYP3A4CYP2D6MEN1
SCHEMBL451 0.71 CYP3A4 (1.00) ALOX15TSHRUSP2CYP3A4CYP2D6
SCHEMBL20000561 0.71 CHRNB2 (0.48) ALOX15TSHRHPGDCYP3A4ALDH1A1
SCHEMBL14129948 0.70 CYP2D6 (1.00) ALOX15TSHRKDM4EUSP2POLB
Ammonia Solution, Strong SCHEMBL3848736 0.69 CYP3A4 (0.95) ALOX15TSHRUSP2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed