SCHEMBL7462060

SCHEMBL7462060

COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N)n2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.56
▸ DYRK1A Q13627 1/20 0.51
▸ DHFR P00374 1/20 0.50
▸ CHRNA7 P36544 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ HSP90AB1 P08238 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49

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
SCHEMBL12306207 0.89 HSP90AA1 (0.59) DYRK1ACHRNA7KMT2AMEN1KDM4E
SCHEMBL7462194 0.86 ADORA1 (0.49) MAOBDYRK1ACHRNA7ACHEKMT2A
SCHEMBL17144809 0.81 CYP1A1 (0.54) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL1388381 0.78 DYRK1A (0.66) MAOBDYRK1ADHFRKMT2AMEN1
SCHEMBL6749872 0.76 HSP90AA1 (0.61) MAOBKMT2AMEN1KDM4EMAPT
SCHEMBL7598921 0.75 CYP1A1 (0.61) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL30507464 0.74 GSK3B (0.60) DYRK1ACHRNA7KMT2AMEN1KDM4E
SCHEMBL28512792 0.74 GSK3B (0.60) DYRK1ACHRNA7KMT2AMEN1KDM4E
SCHEMBL509183 0.74 KDM4E (0.52) MAOBDHFRACHEKMT2AMEN1
SCHEMBL12306204 0.73 KDM4E (0.63) MAOBKMT2AMEN1KDM4EMAPT

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-0767170-B1 NOVEL 4,6-DIARYLPYRIMIDINE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2002-10-23 — — EP disclosed
US-5786355-A COMPOUNDS FOR TREATMENT OF CANCER, RHEUMATISM, DIABETIC RETINOPATHY OR PSORIASIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 — — US disclosed
EP-0767170-A1 NOVEL 4,6-DIARYLPYRIMIDINE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-04-09 — — EP disclosed
Send feedback