SCHEMBL8640299

SCHEMBL8640299

CN(CCC#N)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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
ROCK2 O75116 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31

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 0.84 ATM (0.38) ATMALDH1A1MAPTKMT2AKDM4E
SCHEMBL10690275 0.84 ATM (0.38) ATMALDH1A1MAPTKMT2AKDM4E
SCHEMBL10693715 0.84 ATM (0.38) ATMALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL10690256 0.81 ATM (0.36) ATM
Hydrochloric Acid SCHEMBL10693525 0.81 ATM (0.36) ATM
SCHEMBL7645807 0.78 AR (0.33) ATMMAPTKMT2AMEN1CSF1R
SCHEMBL10693252 0.75 HTT (0.36) ATMALDH1A1KMT2AKDM4EMEN1
SCHEMBL9037364 0.74 CDK2 (0.31) ALDH1A1MAPTKMT2AMEN1
SCHEMBL26643376 0.68 CSF1R (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4701005 0.68 AR (0.47) ATMCSF1R

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
EP-0880499-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1998-12-02 EP disclosed
WO-1997028123-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-08-07 WO disclosed