SCHEMBL9853606

SCHEMBL9853606

Nc1ncccc1Oc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.52
PLAU P00749 1/20 0.52
NCF1 P14598 1/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
BACE1 P56817 1/20 0.52
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
HTR1B P28222 2/20 0.46
KDM4E B2RXH2 4/20 0.43

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
SCHEMBL14361190 0.83 LTA4H (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL1884690 0.81 TRPA1 (0.48) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL1369945 0.79 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL442767 0.79 HTR1B (0.54) MAPTRAB9AALDH1A1HPGDTDP1
SCHEMBL29577853 0.79 HTR1B (0.54) MAPTRAB9AALDH1A1HPGDTDP1
SCHEMBL6213751 0.78 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL6080116 0.78 LTA4H (0.58) F12PLAUNCF1NOS3NOS1
SCHEMBL31061114 0.78 LTA4H (0.58) F12PLAUNCF1NOS3NOS1
Lithium SCHEMBL6571336 0.77 HTR1B (0.52) MAPTRAB9AALDH1A1HPGDTDP1
Methane SCHEMBL10959030 0.77 HTR1B (0.52) MAPTRAB9AALDH1A1HPGDTDP1

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 1 patent. 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