SCHEMBL9853814

SCHEMBL9853814

Nc1ccncc1Oc1ccccc1COC(=O)C(=O)OCc1ccccc1Oc1cnccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
CXCL8 P10145 2/20 0.35
TSPO P30536 3/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
CHRM1 P11229 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SGMS2 Q8NHU3 2/20 0.33
MEN1 O00255 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KDM4D Q6B0I6 1/20 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
SCHEMBL9853824 0.81 KDM4C (0.38) KDM4CICAM1SELEVCAM1SLC22A12
Oxalic Acid SCHEMBL9853811 0.81 KDM4C (0.42) KDM4CICAM1SELEVCAM1CXCL8
SCHEMBL9853794 0.79 KDM4E (0.40) KDM4CCXCL8TSPOOPRK1KDM4E
SCHEMBL9853270 0.74 KDM4E (0.51) KDM4CKDM4EALDH1A1KMT2ATDP1
SCHEMBL29795188 0.74 ALDH1A1 (0.39) KDM4CTSPOOPRK1ALDH1A1KMT2A
SCHEMBL9853795 0.71 ALDH1A1 (0.57) KDM4EALDH1A1KMT2ATDP1MEN1
Hydrochloric Acid SCHEMBL9853808 0.70 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL9853585 0.68 CYP3A4 (0.46) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4374807 0.68 PTGS1 (0.50) KDM4CICAM1SELEALDH1A1GAA
Hydrochloric Acid SCHEMBL9853816 0.66 PTGS1 (0.49) KDM4CICAM1SELEALDH1A1KMT2A

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-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