SCHEMBL8155111

SCHEMBL8155111

Cc1cccc(C(=O)C(C#N)C(=O)c2nn(C)c3c2ccc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.41
▸ F2 P00734 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34

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
SCHEMBL8152609 0.90 CTNNB1 (0.34) ELANECTNNB1KMT2A
SCHEMBL8152931 0.87 CNR2 (0.44) ELANENPC1RAB9AKCNJ11MEN1
SCHEMBL8152068 0.86 ALOX5 (0.41) ELANENPC1RAB9AABCC9ABCC8
SCHEMBL8151033 0.85 FLT3 (0.41) ELANEMEN1KMT2A
SCHEMBL8153984 0.84 SMN1; SMN2 (0.35) ELANENPC1RAB9AKCNJ11MEN1
SCHEMBL8144738 0.82 NPC1 (0.38) ELANENPC1RAB9AKCNJ11MEN1
SCHEMBL8149948 0.82 HPGD (0.34) ELANEMEN1KMT2A
SCHEMBL8153958 0.80 KDM4E (0.41) ELANEF2PLAUCTRB1MEN1
SCHEMBL8158627 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL8143616 0.77 ALDH1A1 (0.44) MEN1KMT2A

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
EP-1019380-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-07-19 — — EP disclosed
WO-1999016753-A2 TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-08 — — WO disclosed
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