SCHEMBL9853804

SCHEMBL9853804

CC(=O)Nc1ccncc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.62
PTGS2 P35354 7/20 0.62
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4C Q9H3R0 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL9853805 0.99 PTGS1 (0.60) PTGS1PTGS2TSHRALDH1A1MAPK1
SCHEMBL2342698 0.81 ADRA2C (0.64) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL30327328 0.81 ADRA2C (0.64) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL19127754 0.80 ALDH1A1 (0.49) TSHRALDH1A1MAPTPOLB
SCHEMBL27952758 0.77 KMT2A (0.50) ALDH1A1MAPK1HSD17B10LMNAMAPT
SCHEMBL26802311 0.77 DYRK1A (0.43) TSHRALDH1A1HSD17B10MAPT
SCHEMBL11544971 0.75 PTGS1 (0.60) PTGS1PTGS2TSHRALDH1A1MAPK1
SCHEMBL23012320 0.75 TDP1 (0.55) PTGS1PTGS2TSHRALDH1A1MAPK1
SCHEMBL15890250 0.74 KMT2A (0.53) PTGS1PTGS2TSHRALDH1A1MAPT
SCHEMBL4139383 0.74 ALDH1A1 (0.55) TSHRALDH1A1KDM4CRAB9A

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