SCHEMBL9853809

SCHEMBL9853809

COC(=O)c1ccccc1Oc1cnccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL9853813 0.87 KMT2A (0.49) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL8076951 0.85 L3MBTL1 (0.62) KMT2AALDH1A1L3MBTL1RAB9ATDP1
SCHEMBL9853798 0.83 TDP1 (0.54) KMT2AMAPTL3MBTL1RAB9ATDP1
SCHEMBL9853819 0.81 KDM4E (0.56) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL9853829 0.80 LMNA (0.45) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9853795 0.79 ALDH1A1 (0.57) KMT2AALDH1A1MEN1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL9853808 0.78 ALDH1A1 (0.56) KMT2AALDH1A1MEN1L3MBTL1TDP1
SCHEMBL1367920 0.78 TDP1 (0.58) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL17047599 0.77 ALDH1A1 (0.50) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL4910090 0.77 ALDH1A1 (0.47) KMT2AALDH1A1MAPTCYP1A2CYP2C9

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