SCHEMBL9853591

SCHEMBL9853591

COc1ccc(Oc2cnccc2N)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
EP300 Q09472 1/20 0.53
KAT8 Q9H7Z6 1/20 0.53
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9853596 0.83 GAA (0.49) MAPTLMNAALDH1A1PTGS1TDP1
SCHEMBL9853585 0.79 CYP3A4 (0.46) MAPTLMNAALDH1A1HPGDPOLB
SCHEMBL31576017 0.79
SCHEMBL222945 0.79
Hydrochloric Acid SCHEMBL29374919 0.77 CA12 (0.47) EP300KAT8MAPTALDH1A1ADRA2B
SCHEMBL31666411 0.77 IDO1 (0.64) IDO1EP300KAT8MAPTLMNA
SCHEMBL9853810 0.73 PTGS1 (0.54) MAPTALDH1A1PTGS1TDP1NPC1
SCHEMBL4374807 0.73 PTGS1 (0.50) ALDH1A1PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL2558102 0.73 ALDH1A1 (0.55) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL9853824 0.72 KDM4C (0.38) SLC22A12POLBKDM4EHTTRAD52

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-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 claimed
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