SCHEMBL7010266

SCHEMBL7010266

c1ccc(Oc2ccc(-c3ccc(-n4ccnc4)cc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.75
ALOX15 P16050 1/20 0.75
TSHR P16473 1/20 0.75
KMT2A Q03164 1/20 0.75
CYP3A4 P08684 5/20 0.62
ALDH1A1 P00352 1/20 0.59
ADH5 P11766 1/20 0.56
PORCN Q9H237 4/20 0.56
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP19A1 P11511 2/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL7005980 0.95 CYP3A4 (0.69) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL10512975 0.88 LMNA (0.62) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL6660795 0.86 MEN1 (1.00) MEN1ALOX15TSHRKMT2ACYP3A4
Water SCHEMBL6337291 0.84 MEN1 (0.96) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL2533488 0.82 TSHR (0.84) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL7658197 0.81 ALOX15 (0.53) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL7650969 0.81 ALOX15 (0.53) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL10126954 0.80 LMNA (0.79) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL2364827 0.79 MAOA (0.80) MEN1ALOX15TSHRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7650974 0.79 ADH5 (0.51) MEN1ALOX15TSHRKMT2ACYP3A4

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