SCHEMBL8698087

SCHEMBL8698087

COc1ccc(C(=O)CC(C#N)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ KMT2A Q03164 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.54
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSD11B1 P28845 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GSK3B P49841 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL6204424 0.94 L3MBTL1 (0.69) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28727176 0.87 KMT2A (0.58) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13100658 0.86 KMT2A (0.79) L3MBTL1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31326036 0.85 KMT2A (0.70) L3MBTL1KMT2ANPC1RAB9AHSD11B1
SCHEMBL1754734 0.85 TSHR (0.53) L3MBTL1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL31326025 0.85 TSHR (0.53) L3MBTL1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL8694320 0.84 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2397228 0.83 L3MBTL1 (0.69) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31326026 0.82 KMT2A (0.55) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8695606 0.82 KMT2A (0.55) L3MBTL1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998015524-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF BETA-KETONITRILES WARNER-LAMBERT COMPANY (US) 1998-04-16 — — WO claimed
WO-1998015524-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF BETA-KETONITRILES WARNER-LAMBERT COMPANY (US) 1998-04-16 — — WO disclosed
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