SCHEMBL10693252

SCHEMBL10693252

CN(C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
MEN1 O00255 1/20 0.34
CSF1R P07333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MMP14 P50281 1/20 0.33

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
SCHEMBL10694335 0.92 ATM (0.38) HTTKMT2APOLBATMALDH1A1
SCHEMBL10693715 0.92 ATM (0.38) HTTKMT2APOLBATMALDH1A1
SCHEMBL10690275 0.92 ATM (0.38) HTTKMT2APOLBATMALDH1A1
SCHEMBL10472874 0.76 CREBBP (0.40) HTTKMT2APOLBALDH1A1MEN1
SCHEMBL4490919 0.76 ALDH1A1 (0.54) HTTKMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL8640299 0.75 ATM (0.37) HTTKMT2AATMALDH1A1MEN1
SCHEMBL3936910 0.74 BCHE (0.50) HTTPOLBALDH1A1BCHEACHE
Hydrochloric Acid SCHEMBL10690256 0.74 ATM (0.36) ATML3MBTL1
Hydrochloric Acid SCHEMBL10693525 0.74 ATM (0.36) ATML3MBTL1
SCHEMBL4559778 0.69 CSF1R (0.36) HTTKMT2APOLBATMALDH1A1

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-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 US disclosed