SCHEMBL9853612

SCHEMBL9853612

Nc1ccncc1Oc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
RCE1 Q9Y256 1/20 0.65
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 3/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYP17A1 P05093 1/20 0.40

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
SCHEMBL890743 0.84 GAA (0.71) GAARCE1LMNAHTTMAPT
SCHEMBL4374807 0.81 PTGS1 (0.50) GAACYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9853816 0.80 PTGS1 (0.49) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30576251 0.79 GAA (1.00) GAARCE1LMNAHTTMAPT
SCHEMBL6650088 0.79 GAA (1.00) GAARCE1LMNAHTTMAPT
SCHEMBL8544325 0.78 GPBAR1 (0.44) GAARCE1CYP1A2CYP11B1CYP11B2
SCHEMBL4385568 0.76 PTGS1 (0.56) GAALMNAHTTMAPTCYP1A2
SCHEMBL8422365 0.75 GAA (0.92) GAARCE1LMNAHTTMAPT
SCHEMBL22673187 0.75 GAA (0.72) GAARCE1LMNAHTTMAPT
SCHEMBL4370948 0.75 PTGS1 (0.52) GAAMAPTCYP1A2CYP3A4CYP2D6

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