SCHEMBL7266405

SCHEMBL7266405

COCCCNc1nc(-c2ccc(C)cc2)nc2cc(OC)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 5/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
HTT P42858 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALOX15 P16050 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TLR9 Q9NR96 1/20 0.50
RAD52 P43351 2/20 0.49
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL7262644 0.90 MEN1 (0.71) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7268550 0.86 HTT (0.62) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7267768 0.83 MEN1 (0.60) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL1083831 0.82 MEN1 (0.80) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7261254 0.81 LMNA (0.50) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7268662 0.81 RAD52 (0.51) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL3974654 0.81 ACP1 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7261413 0.80 CYP1A2 (0.50) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7261575 0.79 PGK1 (0.60) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7262081 0.79 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E

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
US-6613772-B1 Drugs such as 2-(p-chlorophenyl-4-(4-hydroxybutyl)amino-6,7,8 -trimethoxyquinazoline used for activation of guanylate cyclase and modulation of cyclic guanosine monophosphate AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-02 US disclosed
EP-1040101-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2000-10-04 EP disclosed
WO-1999032460-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO disclosed