SCHEMBL9853795

SCHEMBL9853795

COC(=O)c1ccccc1Oc1cnccc1N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 3/20 0.51
CFTR P13569 2/20 0.51
MEN1 O00255 2/20 0.50
SLC6A3 Q01959 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41

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 SCHEMBL9853808 0.99 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL9858685 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL9853270 0.84 KDM4E (0.51) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL8075174 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EGAAKMT2AHSD17B10
SCHEMBL9853819 0.82 KDM4E (0.56) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL2441955 0.80 SLC6A3 (0.65) ALDH1A1KDM4EGAAKMT2AHSD17B10
SCHEMBL9853809 0.79 KMT2A (0.50) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL31552940 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL9853794 0.77 KDM4E (0.40) ALDH1A1KDM4EGLAGAAKMT2A
SCHEMBL29139940 0.77 KMT2A (0.64) ALDH1A1KDM4EGLAGAAKMT2A

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 4 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
US-4940704-A Pyrido[3,4-b][1,4]benzoxazepines HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) 1990-07-10 US disclosed