SCHEMBL1742563

SCHEMBL1742563

COc1ccc2ccc(N)cc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 5/20 0.44
NQO2 P16083 1/20 0.43
NR4A1 P22736 1/20 0.43
IDO1 P14902 4/20 0.43
TDO2 P48775 4/20 0.43
PLAU P00749 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42

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
SCHEMBL7129654 0.78 IDO1 (0.54) KDM4EALDH1A1MAPTTSHRIDO1
SCHEMBL8154614 0.77 IDO1 (0.55) KDM4EALDH1A1MAPTLMNAIDO1
SCHEMBL1114836 0.77 CTDSP1 (0.53) KDM4EALDH1A1USP2MAPTGAA
Hydrochloric Acid SCHEMBL1114622 0.76 CTDSP1 (0.52) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL7496904 0.75 IDO1 (0.52) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL5751184 0.74 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMAPK1PLAU
SCHEMBL278576 0.74 MAPT (0.67) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL30380487 0.74 MAPT (0.67) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL21255664 0.73 TUBB4A (0.51) KDM4EMAPTGAACYP19A1NQO2
SCHEMBL3631528 0.73 NQO1 (0.64) KDM4EALDH1A1MAPTMAPK1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203500-B Substituted arylamine compounds and their use as 5-HT6Use of modulators GALENEA CORP 2013-08-21 CN disclosed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO disclosed
CN-101203500-A Substituted arylamine compounds and their use as 5-HT6Use of modulators EPIX DELAWARE INC (US) 2008-06-18 CN disclosed
CN-1046723-C Tetracyclic compounds as dopamine agonists ABBOTT LAB (US) 1999-11-24 CN disclosed
CN-1124489-A Tetracyclic compounds as dopamine agonists ABBOTT LAB (US) 1996-06-12 CN disclosed