SCHEMBL9853824

SCHEMBL9853824

Nc1ccncc1Oc1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
GAA P10253 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34

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
Oxalic Acid SCHEMBL9853811 0.93 KDM4C (0.42) KDM4CKDM4ESLC22A12ICAM1SELE
SCHEMBL9853814 0.81 KDM4C (0.39) KDM4CKDM4ESLC22A12POLBGAA
SCHEMBL9853794 0.79 KDM4E (0.40) KDM4CKDM4EPOLBGAA
SCHEMBL5950358 0.77 SLC6A2 (0.50) SLC6A4SLC6A2KDM4EMAPK1SLC6A3
SCHEMBL9853585 0.76 CYP3A4 (0.46) KDM4EMAPK1POLBHTTRAD52
SCHEMBL27254979 0.75 CYP19A1 (0.46) KDM4CSLC6A4SLC6A2KDM4EMAPK1
SCHEMBL9853270 0.74 KDM4E (0.51) KDM4CKDM4EMAPK1HTTGAA
SCHEMBL4374807 0.73 PTGS1 (0.50) KDM4CMAPK1GAAICAM1SELE
SCHEMBL23012547 0.72 PTGS1 (0.48) KDM4CMAPK1HTT
SCHEMBL8777062 0.72 HRH1 (0.44) SLC6A4SLC6A2KDM4EMAPK1SLC6A3

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-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US claimed
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US disclosed