SCHEMBL9853818

SCHEMBL9853818

O=Cc1ccccc1Oc1cnccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
ERN1 O75460 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 4/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4111651 0.84 HPGD (0.60) MAPTCYP1A2CYP2C9LMNAGAA
SCHEMBL9853813 0.76 KMT2A (0.49) MAPTCYP1A2CYP2C9GAAKMT2A
SCHEMBL29955136 0.75 ERN1 (0.44) MAPTGAAKMT2AALDH1A1ERN1
SCHEMBL10501592 0.75 HPGD (0.50) MAPTCYP1A2CYP2C9LMNAGAA
SCHEMBL7701305 0.75 ALDH1A1 (0.74) MAPTCYP1A2CYP2C9LMNAGAA
SCHEMBL9853809 0.74 KMT2A (0.50) MAPTCYP1A2CYP2C9LMNAGAA
SCHEMBL3838143 0.73 HSPB1 (0.55) MAPTLMNAGAAKMT2AALDH1A1
SCHEMBL4434944 0.73 LMNA (0.75) MAPTCYP1A2CYP2C9LMNAGAA
SCHEMBL9391339 0.72 L3MBTL1 (0.62) MAPTGAAKMT2AALDH1A1L3MBTL1
SCHEMBL7887959 0.72 HSPB1 (0.47) MAPTCYP1A2CYP2C9LMNAGAA

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-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US claimed
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US disclosed