SCHEMBL9853789

SCHEMBL9853789

COc1ccc(Oc2c[n+]([O-])ccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 5/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXA2R P21731 1/20 0.40
APP P05067 1/20 0.39
PAX8 Q06710 2/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL7055435 0.88 ALDH1A1 (0.45) MERTKSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL4376514 0.85 LMNA (0.42) MERTKSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4375480 0.85 PDE7A (0.49) MERTKSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL4377981 0.85 MEN1 (0.48) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL9853822 0.85 MAPT (0.46) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL2885107 0.84 ALDH1A1 (0.55) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL9853579 0.79 PIN1 (0.47) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL4383031 0.78 EPAS1 (0.44) MERTKKMT2AALDH1A1TDP1MAPT
SCHEMBL9853586 0.78 L3MBTL1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL9853587 0.77 ALDH1A1 (0.37) SMN1; SMN2KMT2AALDH1A1TDP1L3MBTL1

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 5 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
JP-3038568-A None JP disclosed
JP-H0338568-A PHENOXYPYRIDINAMINES AND ITS PREPARATION HOECHST ROUSSEL PHARMACEUT INC 1991-02-19 JP disclosed
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