SCHEMBL21410253

SCHEMBL21410253

C#CCNCc1ccc(OC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.51
▸ KMT2A Q03164 3/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HDAC3 O15379 1/20 0.37

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
SCHEMBL13527792 0.77 PYCR1 (0.79) PYCR1KMT2ALMNAMEN1MAOB
SCHEMBL22729788 0.76 PYCR1 (0.61) PYCR1KMT2AALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL3168845 0.75 PYCR1 (0.76) PYCR1KMT2ALMNAMAPTMEN1
SCHEMBL29022616 0.75 CA1 (0.59) KMT2AALDH1A1MEN1KIF11NPC1
SCHEMBL27972749 0.73 KMT2A (0.57) KMT2AALDH1A1LMNAHTTNPC1
SCHEMBL8492754 0.72 PYCR1 (0.56) PYCR1ALDH1A1HTTOPRM1OPRD1
SCHEMBL16257783 0.72 PYCR1 (0.56) PYCR1KMT2AALDH1A1LMNAMAPT
SCHEMBL10598258 0.72 PYCR1 (0.66) PYCR1ALDH1A1HTTANPEPERAP2
SCHEMBL1835776 0.72 RAB9A (0.53) KMT2AALDH1A1THRBMEN1KIF11
SCHEMBL9542970 0.72 ELANE (0.57) KMT2AMEN1KIF11

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
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 — — CN disclosed
CN-114502534-A BET degradant 协和麒麟株式会社 2022-05-13 — — CN disclosed
CN-111936468-A Compounds with anti-cancer activity 协和麒麟株式会社 2020-11-13 — — CN disclosed
WO-2019189778-A1 COMPOUND WITH ANTICANCER ACTIVITY 協和発酵キリン株式会社 2019-10-03 — — WO disclosed
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