SCHEMBL9853602

SCHEMBL9853602

O=C(ONc1ccncc1Oc1ccc(Cl)c2ccccc12)C(=O)ONc1ccncc1Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
ESRRA P11474 4/20 0.44
CCR2 P41597 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.39
CGAS Q8N884 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
Oxalic Acid SCHEMBL9853597 0.75 ESRRA (0.43) ESRRACCR2TSHRNPC1RAB9A
SCHEMBL9853596 0.73 GAA (0.49) PTGS1PTGS2ESRRATSHRNPC1
SCHEMBL9853609 0.67 ALDH1A1 (0.50) ESRRALMNAMAPTHSP90AA1CCR6
SCHEMBL10990381 0.61 LMNA (0.46) ESRRANPC1RAB9ALMNAMAPT
SCHEMBL11544742 0.61 PTGS1 (0.60) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL11750981 0.60 TSHR (0.68) PTGS1PTGS2ESRRATSHRNPC1
SCHEMBL10994648 0.60 MAPT (0.48) ESRRANPC1RAB9ALMNAMAPT
SCHEMBL9188264 0.60 CYP1A2 (0.59) ESRRATSHRNPC1RAB9ALMNA
SCHEMBL9813739 0.60 TSHR (0.67) PTGS1ESRRATSHRNPC1RAB9A
SCHEMBL10991633 0.60 LMNA (0.44) ESRRATSHRNPC1RAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405426-A2 Naphthylamino- and naphthyloxy-pyridinamines and related compounds, a process for their preparation and their use as dermatological agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US disclosed