SCHEMBL10693715

SCHEMBL10693715

CN(C)CCCN(C)C(=O)c1cc(N(C)C(=O)c2cc(N(C)C(=O)c3cc([N+](=O)[O-])c[nH]3)c[nH]2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.32
MMP14 P50281 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CSF1R P07333 1/20 0.31
MEN1 O00255 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
HRH4 Q9H3N8 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL10690275 1.00 ATM (0.38) ATMHTTMMP14POLBKMT2A
SCHEMBL10694335 1.00 ATM (0.38) ATMHTTMMP14POLBKMT2A
SCHEMBL10693252 0.92 HTT (0.36) ATMHTTMMP14POLBKMT2A
SCHEMBL8640299 0.84 ATM (0.37) ATMHTTKMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL10690256 0.83 ATM (0.36) ATM
Hydrochloric Acid SCHEMBL10693525 0.83 ATM (0.36) ATM
SCHEMBL10694015 0.75 DAO (0.39) KMT2AMEN1
SCHEMBL10691131 0.75 DAO (0.39) KMT2AMEN1
Hydrochloric Acid SCHEMBL10690291 0.75 DAO (0.38) KMT2AMEN1
Hydrochloric Acid SCHEMBL10688893 0.75 DAO (0.38) KMT2AMEN1

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