SCHEMBL10417210

SCHEMBL10417210

Nc1ccc(Nc2ccn(-c3ccccc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ MAPT P10636 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MET P08581 1/20 0.45
▸ ELOVL1 Q9BW60 7/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL10418593 0.88 ABCB11 (0.72) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10417591 0.88 ABCB11 (0.71) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10417276 0.84 ABCB11 (0.67) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10419334 0.84 ABCB11 (0.67) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10417641 0.84 ABCB11 (0.71) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL27671228 0.83 ABCB11 (0.62) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10417256 0.81 ABCB11 (0.76) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL9120719 0.81 ABCB11 (0.62) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL4880011 0.80 ABCB11 (0.66) ABCB11HDAC6MAPTHTTL3MBTL1
SCHEMBL10417200 0.80 ABCB11 (0.62) ABCB11HDAC6MAPTHTTL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178035-B1 ANTI-INFLAMMATORY 1,N-DIARYLPYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1990-01-03 — — EP claimed
US-4810719-A Anti-inflammator 1,n-diarylpyrazol-3-amines FISONS PLC (GB) 1989-03-07 — — US claimed
CN-85103468-A Prepare the method for new compound and new purposes thereof — 1986-09-10 — — CN claimed
EP-0178035-A1 Anti-inflammatory 1,N-diarylpyrazol-3-amines, compositions containing them and processes for their preparation FISONS plc (GB) 1986-04-16 — — EP claimed
EP-0178035-B1 ANTI-INFLAMMATORY 1,N-DIARYLPYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1990-01-03 — — EP disclosed
US-4810719-A Anti-inflammator 1,n-diarylpyrazol-3-amines FISONS PLC (GB) 1989-03-07 — — US disclosed
CN-85103468-A Prepare the method for new compound and new purposes thereof — 1986-09-10 — — CN disclosed
EP-0178035-A1 Anti-inflammatory 1,N-diarylpyrazol-3-amines, compositions containing them and processes for their preparation FISONS plc (GB) 1986-04-16 — — EP disclosed
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