SCHEMBL8526356

SCHEMBL8526356

COc1cc(C(=O)NCCN(C)C)c(OC)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.55
UHRF1 Q96T88 1/20 0.55
MCHR1 Q99705 3/20 0.52
PTK2 Q05397 1/20 0.52
SMARCA2 P51531 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
STAT6 P42226 1/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
KMT2A Q03164 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL10895066 0.99 RAD52 (0.57) RAD52UHRF1MCHR1PTK2SMARCA2
Hydrochloric Acid SCHEMBL10897440 0.92 MCHR1 (0.53) RAD52UHRF1MCHR1ALDH1A1HSD17B10
SCHEMBL3362006 0.80 ALDH1A1 (0.62) RAD52UHRF1MCHR1SMARCA2ALDH1A1
Hydrochloric Acid SCHEMBL9229456 0.76 SIGMAR1 (0.52) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9223939 0.76 SIGMAR1 (0.52) DRD2DRD3SIGMAR1
SCHEMBL3741758 0.75 KDM4E (0.60) ALDH1A1HSD17B10CYP1A2CYP2C9KMT2A
SCHEMBL24162935 0.75 CYP1A2 (0.52) RAD52UHRF1MCHR1SMARCA2ALDH1A1
SCHEMBL20125128 0.75 HTT (0.68) RAD52UHRF1MCHR1PTK2SMARCA2
SCHEMBL8526913 0.75 DRD3 (0.58) CYP1A2DRD2DRD3SIGMAR1
SCHEMBL22022169 0.74 RAD52 (0.52) RAD52UHRF1MCHR1PTK2SMARCA2

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
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP disclosed