SCHEMBL8668087

SCHEMBL8668087

CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCC(N)CCN)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.51
FTO Q9C0B1 3/20 0.48
HEXA P06865 5/20 0.46
HEXB P07686 5/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 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
SCHEMBL8671343 0.88 KLK7 (0.51) KLK7FTOHEXAHEXBMEN1
SCHEMBL8668083 0.88 KLK7 (0.53) KLK7FTOHEXAHEXBMEN1
SCHEMBL8668325 0.82 HEXA (0.53) FTOHEXAHEXBMEN1KMT2A
SCHEMBL8031989 0.81 HEXA (0.69) HEXAHEXBMEN1KMT2AKDM4E
SCHEMBL14557208 0.81 KLK7 (0.57) KLK7FTOHEXAHEXBMEN1
SCHEMBL8670307 0.80 CYP2D6 (0.61) FTOHEXAHEXBMEN1KMT2A
SCHEMBL11440392 0.80 FTO (0.71) KLK7FTOHEXAHEXBMEN1
SCHEMBL8395426 0.79 SIRT1 (0.65) KLK7FTOHEXAHEXBMAPT
SCHEMBL3851575 0.79 KMT2A (0.67) KLK7FTOMEN1KMT2AKDM4E
SCHEMBL8671345 0.78 KLK7 (0.52) KLK7FTOMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789418-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed