SCHEMBL9853596

SCHEMBL9853596

Nc1ccncc1Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ESRRA P11474 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2A6 P11509 1/20 0.39
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
Oxalic Acid SCHEMBL9853597 0.92 ESRRA (0.43) GAALMNAMAPTCYP1A2CYP3A4
SCHEMBL9853591 0.83 IDO1 (0.54) GAALMNAMAPTCYP1A2CYP3A4
SCHEMBL9853585 0.78 CYP3A4 (0.46) GAALMNAMAPTCYP1A2CYP3A4
SCHEMBL9853609 0.75 ALDH1A1 (0.50) LMNAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL9853602 0.73 PTGS1 (0.44) LMNAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4374807 0.72 PTGS1 (0.50) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10986838 0.72 LMNA (0.49) LMNAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL10963610 0.71 ESRRA (0.54) GAALMNAMAPTCYP1A2CYP3A4
SCHEMBL9853824 0.71 KDM4C (0.38) GAAHTTSLC22A12KDM4EPOLB
Hydrochloric Acid SCHEMBL9853816 0.70 PTGS1 (0.49) GAACYP1A2CYP3A4CYP2C19CYP2C9

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
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 claimed
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