SCHEMBL9853822

SCHEMBL9853822

CCOc1ccc(Oc2c[n+]([O-])ccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
TBXA2R P21731 2/20 0.43
PTGS2 P35354 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LTA4H P09960 2/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL9853789 0.85 MERTK (0.48) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7055435 0.85 ALDH1A1 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4376514 0.82 LMNA (0.42) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4375480 0.82 PDE7A (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4377981 0.81 MEN1 (0.48) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL31460910 0.79 MAPT (0.62) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL21067091 0.77 NPC1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9853579 0.76 PIN1 (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4383031 0.75 EPAS1 (0.44) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2885107 0.75 ALDH1A1 (0.55) MAPTALDH1A1LMNAKMT2AMAPK1

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