SCHEMBL3376566

SCHEMBL3376566

CCN(CC)CCCN(CCCN(CC)CC)C(=O)c1cc(C(=O)N(CCCN(CC)CC)CCCN(CC)CC)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL9679015 0.84 ALDH1A1 (0.49) ATMALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL9678216 0.82 ALDH1A1 (0.45) ATMKCNH2ALDH1A1HTTPOLB
SCHEMBL1522089 0.80 CYP3A4 (0.52) ATML3MBTL1ALDH1A1HTTPOLB
SCHEMBL3375882 0.79 TSHR (0.41) KCNH2ALDH1A1CYP3A4CYP1A2HPGD
SCHEMBL3862638 0.78 ATM (0.50) ATMALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL4481331 0.77 ATM (0.60) ATML3MBTL1KCNH2ALDH1A1CYP3A4
SCHEMBL11570711 0.75 CYP3A4 (0.50) ATML3MBTL1ALDH1A1HTTPOLB
SCHEMBL3853810 0.75 KMT2A (0.56) ALDH1A1HTTPOLBSMN1; SMN2NPC1
SCHEMBL24497003 0.73 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2CYP3A4OPRM1
SCHEMBL6934889 0.72 CYP3A4 (0.60) ATMALDH1A1HTTPOLBSMN1; SMN2

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-20100039028-A1 DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-02-18 US disclosed
US-6653000-B2 Layer of a granular substance such as carbon black dispersed in a binder, also comprising an azo dye-containing compound with amide and amine groups; for recording digital data FUJI PHOTO FILM CO., LTD. (JP) 2003-11-25 US disclosed
US-20020064687-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed