SCHEMBL10417211

SCHEMBL10417211

O=C(O)Cc1ccc(Nc2ccn(-c3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 10/20 0.61
▸ ABCB11 O95342 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ CACNA1G O43497 1/20 0.55
▸ CACNA1H O95180 1/20 0.55
▸ CACNA1I Q9P0X4 1/20 0.55
▸ MAPT P10636 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NSD2 O96028 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ CASP6 P55212 1/20 0.44

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
SCHEMBL10417301 0.88 ELOVL1 (0.48) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
Water SCHEMBL10417188 0.87 ELOVL1 (0.47) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
Water SCHEMBL10417189 0.87 ELOVL1 (0.47) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
SCHEMBL10418605 0.84 ABCB11 (0.56) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
SCHEMBL28943601 0.82 ABCB11 (0.59) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
SCHEMBL27671228 0.82 ABCB11 (0.62) ELOVL1ABCB11HDAC6CACNA1GCACNA1H
SCHEMBL10417200 0.82 ABCB11 (0.62) ELOVL1ABCB11HDAC6MAPTTSHR
SCHEMBL10418593 0.81 ABCB11 (0.72) ELOVL1ABCB11HDAC6MAPTTSHR
SCHEMBL10417591 0.81 ABCB11 (0.71) ELOVL1ABCB11HDAC6MAPTTSHR
SCHEMBL10417262 0.81 ABCB11 (0.64) ELOVL1ABCB11HDAC6MAPTTSHR

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 6 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
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
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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