SCHEMBL9853578

SCHEMBL9853578

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1ccc2c(c1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
STS P08842 1/20 0.40
ALDH3A1 P30838 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SCN9A Q15858 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL9853579 0.78 PIN1 (0.47) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL9853598 0.77 MAPT (0.36) SMN1; SMN2CYP3A4RAB9ANPC1ALOX15
SCHEMBL9853587 0.76 ALDH1A1 (0.37) SMN1; SMN2HTTPTPN1LMNAMAPT
SCHEMBL7055435 0.76 ALDH1A1 (0.45) SMN1; SMN2CYP3A4HTTTSHRHSD17B10
SCHEMBL9853789 0.76 MERTK (0.48) SMN1; SMN2HTTRAB9ANPC1MAPK1
SCHEMBL4375480 0.76 PDE7A (0.49) SMN1; SMN2TSHRMAPK1LMNAMAPT
SCHEMBL4376514 0.76 LMNA (0.42) SMN1; SMN2HTTRAB9ANPC1PTPN1
SCHEMBL4377981 0.76 MEN1 (0.48) SMN1; SMN2CYP3A4CYP2C19RAB9ANPC1
SCHEMBL13150440 0.75 MEN1 (0.60) HTTPTPN1MAPK1LMNAMAPT
SCHEMBL4383031 0.75 EPAS1 (0.44) TSHRMAPK1MAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US claimed
EP-0405426-A2 Naphthylamino- and naphthyloxy-pyridinamines and related compounds, a process for their preparation and their use as dermatological agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US disclosed