SCHEMBL3914599

SCHEMBL3914599

N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N.N#Cc1ccc([N+](=O)[O-])cc1C#N.Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MCL1 Q07820 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
VCAM1 P19320 1/20 0.42
CHEK2 O96017 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
SCHEMBL16628146 0.81 HSPB1 (0.53) ALDH1A1HPGDCRHBPCRHR2KDM4E
SCHEMBL11093863 0.80 KDM4E (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1655480 0.80 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6052442 0.78 VCAM1 (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1980405 0.78 MEN1 (0.52) ALDH1A1CRHBPCRHR2KDM4EMEN1
SCHEMBL30473827 0.77 CYP19A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL19280740 0.77 CYP19A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL11342506 0.75 LMNA (0.54) ALDH1A1CRHBPCRHR2KDM4EMEN1
SCHEMBL11097256 0.74 SRD5A2 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1284365 0.74 HSPB1 (0.61) ALDH1A1KDM4EMCL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032610-A2 METHODS OF PREPARING POLYMER-ORGANOCLAY COMPOSITES AND ARTICLES DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2009-03-11 EP disclosed
WO-2008002870-A2 METHODS OF PREPARING POLYMER-ORGANOCLAY COMPOSITES AND ARTICLES DERIVED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-01-03 WO disclosed