SCHEMBL9853800

SCHEMBL9853800

CCOc1ccc(Oc2cnccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 1/20 0.47
NQO1 P15559 1/20 0.45
LTA4H P09960 2/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL11628534 0.83 ALDH1A1 (0.53) MAPTL3MBTL1KMT2AALDH1A1POLB
SCHEMBL7054411 0.81 TEAD4 (0.47) MAPTTDP1KMT2AALDH1A1POLB
SCHEMBL9853810 0.81 PTGS1 (0.54) MAPTL3MBTL1TDP1LTA4HKMT2A
SCHEMBL4370948 0.78 PTGS1 (0.52) MAPTLTA4HKMT2AALDH1A1MEN1
SCHEMBL4370679 0.78 PTGS1 (0.52) MAPTLTA4HCA12CA1CA2
SCHEMBL4374807 0.78 PTGS1 (0.50) TSHRLTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL9853817 0.77 TBXAS1 (0.46) MAPTKMT2AMEN1SMN1; SMN2PTGS1
SCHEMBL31460934 0.76 ALDH1A1 (0.66) MAPTLMNAATML3MBTL1TDP1
Hydrochloric Acid SCHEMBL9853816 0.76 PTGS1 (0.49) TSHRLTA4HKMT2AALDH1A1MEN1
SCHEMBL1282569 0.75 GAA (0.38) ALDH1A1SMN1; SMN2CA12CA1CA2

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