SCHEMBL9767604

SCHEMBL9767604

CNc1cnccc1N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
ROCK1 Q13464 1/20 0.43
HTR2C P28335 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
STAT3 P40763 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
NUDT1 P36639 1/20 0.40
POLB P06746 1/20 0.39
NR4A1 P22736 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
SCHEMBL9767613 0.80 KDM4C (0.47) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL9191760 0.79 ROCK1 (0.50) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL26103577 0.78 SMN1; SMN2 (0.48) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL9193973 0.76 ROCK1 (0.50) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL9196015 0.76 ALDH1A1 (0.52) ALOX15ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9197156 0.72 ALDH1A1 (0.53) ALOX15ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10546524 0.71 L3MBTL1 (0.55) SMN1; SMN2TP53RAB9ALMNAMAPK1
SCHEMBL15819819 0.71 CYP11B2 (0.51) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
Maleic Acid SCHEMBL9767806 0.71 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2TP53NPC1
Fumaric Acid SCHEMBL9767822 0.71 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US claimed
US-5037835-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
EP-0428878-A2 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-05-29 EP disclosed
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US disclosed