SCHEMBL9612784

SCHEMBL9612784

CCOC(=O)c1cc2ccc(N(CC)CC)cc2o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.71
CYP19A1 P11511 3/20 0.58
MAPT P10636 9/20 0.57
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
ALDH1A1 P00352 7/20 0.57
ATM Q13315 5/20 0.57
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.56
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 3/20 0.55
USP2 O75604 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC16A3 O15427 1/20 0.55
ALOX15 P16050 1/20 0.55
SLC16A1 P53985 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
GLA P06280 2/20 0.54

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
SCHEMBL9653525 0.88 KMT2A (0.59) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL22588267 0.87 MAOB (0.56) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL1772718 0.83 MAOB (1.00) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL5599540 0.83 ALDH1A1 (0.68) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL11860823 0.83 KMT2A (0.71) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL16684696 0.82 MIF (0.49) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL2246104 0.81 MAPT (0.51) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL11863208 0.81 MAPT (0.60) MAOBCYP19A1MAPTKMT2AMEN1
SCHEMBL28367859 0.80 CYP1A2 (0.50) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL742193 0.80 MIF (0.68) MAOBMAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574468-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574467-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574468-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574467-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
WO-2012068702-A1 BENZO 5-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS AND PREPARATION METHODS THEREOF 中国医学科学院医药生物技术研究所 (CN) 2012-05-31 WO disclosed
US-3932446-A Quaternized 6-diethylamino-2-[benzimidazolyl-(2)]benzofuran BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed