SCHEMBL8847220

SCHEMBL8847220

CC(O)(C#Cc1ccc(C(=O)c2ccccn2)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ HSD17B14 Q9BPX1 1/20 0.44
▸ TLR7 Q9NYK1 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ AGTR1 P30556 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL8847204 0.83 ABCC9 (0.50) ALDH1A1HTTNPC1RAB9A
SCHEMBL9794436 0.73 MAPT (0.50) KMT2AALDH1A1HTTMAPTNPC1
SCHEMBL8866390 0.72 ABCC9 (0.70) KMT2AMEN1
SCHEMBL28038778 0.72 KMT2A (0.66) KMT2AHSD17B14TLR7ALDH1A1CES2
SCHEMBL27314373 0.72 TLR7 (0.70) KMT2AHSD17B14TLR7ALDH1A1MEN1
SCHEMBL6564996 0.70 KMT2A (0.54) KMT2AHSD17B14ALDH1A1MEN1HTT
SCHEMBL29560650 0.70 KMT2A (0.72) KMT2AHSD17B14TLR7ALDH1A1MEN1
SCHEMBL29485021 0.70 KMT2A (0.72) KMT2AHSD17B14ALDH1A1MEN1CES2
SCHEMBL743166 0.70 KMT2A (0.72) KMT2AHSD17B14ALDH1A1MEN1CES2
SCHEMBL17842342 0.70 KMT2A (0.72) KMT2AHSD17B14TLR7ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641302-B1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LTD (GB) 1997-12-10 — — EP disclosed
US-5411973-A Potassium channel openers, urinary incontinence ZENECA LIMITED (GB) 1995-05-02 — — US disclosed
EP-0641302-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-03-08 — — EP disclosed
WO-1993023358-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1993-11-25 — — WO disclosed
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