SCHEMBL9490255

SCHEMBL9490255

CCCNc1ccc(C(=O)NCCN(CC)CC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
NFKB1 P19838 1/20 0.70
KCNH2 Q12809 1/20 0.70
POLB P06746 2/20 0.69
BLM P54132 2/20 0.68
CYP3A4 P08684 1/20 0.68
THRB P10828 1/20 0.68
ATM Q13315 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
LMNA P02545 2/20 0.67
SLC22A2 O15244 1/20 0.67
SLC22A1 O15245 1/20 0.67
TSHR P16473 1/20 0.67
ACHE P22303 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
PMP22 Q01453 1/20 0.65
MCHR1 Q99705 3/20 0.64
TDP1 Q9NUW8 1/20 0.62
CA12 O43570 1/20 0.60

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
SCHEMBL12266946 0.86 KMT2A (0.58) ALDH1A1NFKB1KCNH2POLBSMN1; SMN2
SCHEMBL19123079 0.85 ALDH1A1 (0.62) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL3377144 0.85 ALDH1A1 (0.74) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL5925645 0.85 ALDH1A1 (0.74) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL876117 0.85 ALDH1A1 (0.59) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL9823319 0.85 ALDH1A1 (0.65) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL23663764 0.84 ALDH1A1 (0.73) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL3376488 0.84 ALDH1A1 (0.72) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL12438386 0.83 POLB (0.84) ALDH1A1NFKB1KCNH2POLBBLM
SCHEMBL9363810 0.83 POLB (0.84) ALDH1A1NFKB1KCNH2POLBBLM

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-5211993-A Method of making novel separation media ADVANCED SURFACE TECHNOLOGY, INC. (US) 1993-05-18 US disclosed