SCHEMBL10652117

SCHEMBL10652117

CCC(C#N)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
ALOX5 P09917 1/20 0.38
PGR P06401 1/20 0.35
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KEAP1 Q14145 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CTSC P53634 2/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL144586 0.81 ALOX5 (0.38) ALOX5CES2CES1KEAP1MAPT
SCHEMBL5229338 0.78 CCR1 (0.45) CCR1ALOX5PGRCES2CES1
SCHEMBL28611237 0.77 CTSC (0.42) CCR1ALDH1A1MEN1KMT2ACTSC
SCHEMBL9521376 0.75 FFAR1 (0.45) CCR1ALOX5CES2CES1KEAP1
SCHEMBL9442383 0.74
SCHEMBL3411347 0.73 CTSC (0.44) CCR1MAPTALDH1A1RAB9ALMNA
SCHEMBL963358 0.73 ALOX5 (0.39) CCR1ALOX5PGRCES2CES1
SCHEMBL7596019 0.73 ALOX5 (0.43) CCR1ALOX5PGRCES2CES1
SCHEMBL2880798 0.73 ALOX5 (0.39) ALOX5CES2CES1KEAP1MAPT
SCHEMBL31331749 0.72 MGAM (0.51) ALOX5CES1MAPTALDH1A1NPSR1

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-0171213-B1 SPIRO-IMIDAZOLONES FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1988-09-21 EP disclosed
US-4680306-A Sprio-imidazolones for treatment of diabetes complications PFIZER INC. (US) 1987-07-14 US disclosed
WO-1986000807-A1 SPIRO-IMIDAZOLONES FOR TREATMENT OF DIABETES COMPLICATIONS PFIZER INC. (US) 1986-02-13 WO disclosed
EP-0171213-A1 Spiro-imidazolones for treatment of diabetic complications PFIZER INC. (US) 1986-02-12 EP disclosed