SCHEMBL9853598

SCHEMBL9853598

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1cccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
RXRA P19793 5/20 0.34
RXRB P28702 4/20 0.34
RXRG P48443 4/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL9853578 0.77 SMN1; SMN2 (0.41) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL9853588 0.74 PIN1 (0.49) MAPTLMNAL3MBTL1HPGDMEN1
SCHEMBL11547238 0.74 HPGD (0.68) MAPTLMNAL3MBTL1HPGDMEN1
SCHEMBL31312989 0.73 BCL2L1 (0.54) RXRARXRBRXRGSMN1; SMN2
SCHEMBL4377981 0.72 MEN1 (0.48) MAPTLMNAL3MBTL1HPGDMEN1
SCHEMBL10963407 0.71 HSPB1 (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6688479 0.70 MAPT (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL31180267 0.70 MAPT (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11110730 0.69 MEN1 (0.46) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL11030951 0.69 KMT2A (0.54) MAPTLMNAL3MBTL1HPGDMEN1

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