SCHEMBL10417209

SCHEMBL10417209

COc1ccc(Nc2ccn(-c3cccc(C(F)(F)F)c3)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
▸ APP P05067 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ABL1 P00519 2/20 0.44
▸ BCR P11274 2/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ NOTUM Q6P988 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
SCHEMBL10417190 0.85 ALDH1A1 (0.55) ABCB11HDAC6LMNAMAPTMEN1
SCHEMBL10969572 0.83 ABCB11 (0.63) ABCB11HDAC6APPGAALMNA
SCHEMBL5324598 0.81 ABCB11 (1.00) ABCB11HDAC6GAALMNASMN1; SMN2
SCHEMBL9279109 0.80 ALDH1A1 (0.45) ABCB11HDAC6MAPTMEN1CYP1A2
SCHEMBL10417260 0.79 ABCB11 (0.86) ABCB11HDAC6GAALMNASMN1; SMN2
SCHEMBL10226426 0.79 NOTUM (0.52) MAPTMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL10417212 0.78 ABCB11 (0.74) ABCB11HDAC6GAALMNASMN1; SMN2
SCHEMBL10417635 0.78 KIF11 (0.60) MEN1KMT2AALDH1A1TDP1NOTUM
SCHEMBL10417207 0.76 ABCB11 (0.75) ABCB11HDAC6GAALMNAMAPT
SCHEMBL10417599 0.76 ABCB11 (0.89) ABCB11HDAC6GAALMNASMN1; SMN2

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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