SCHEMBL9280366

SCHEMBL9280366

C=CCN1C(=O)c2cccc3c(NC(N)C=C)ccc(c23)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
POLB P06746 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CASP3 P42574 1/20 0.50
USP2 O75604 4/20 0.42
MAPT P10636 3/20 0.42
ATM Q13315 2/20 0.42
TLR9 Q9NR96 2/20 0.42
RGS12 O14924 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41

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
Hydrochloric Acid SCHEMBL29265514 0.83 ALDH1A1 (0.64) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL3433937 0.80 POLB (0.64) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL18028312 0.77 ALDH1A1 (0.61) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL11042478 0.77 ALDH1A1 (0.70) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL4904889 0.75 DYRK3 (0.59) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL18691421 0.75 KMT2A (0.74) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL4596137 0.74 ALDH1A1 (1.00) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL1001022 0.74 ALDH1A1 (0.70) ALDH1A1POLBRXFP1MEN1KMT2A
Hydrochloric Acid SCHEMBL29265515 0.73 ALDH1A1 (0.97) ALDH1A1POLBRXFP1MEN1KMT2A
SCHEMBL22716942 0.71 ALDH1A1 (0.65) ALDH1A1POLBRXFP1MEN1KMT2A

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
US-5472878-A Using a 1,8-naphthalimide dye MICROBIOMED CORP. (US) 1995-12-05 US claimed
US-5472878-A Using a 1,8-naphthalimide dye MICROBIOMED CORP. (US) 1995-12-05 US disclosed