SCHEMBL6041051

SCHEMBL6041051

NP(N)(=S)n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
NOTUM Q6P988 1/20 0.37
HTR6 P50406 3/20 0.37
BIRC5 O15392 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
PRKCH P24723 1/20 0.35

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
SCHEMBL6041081 0.79 CDK4 (0.42) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL2593821 0.76 CDK4 (0.39) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL21806773 0.71 NOTUM (0.46) CDK4CCND1NOTUMHTR6LMNA
SCHEMBL6041052 0.71 KMT2A (0.40) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL14076797 0.69 CDK4 (0.41) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL30037074 0.68 KMT2A (0.44) CDK4CCND1NOTUMHTR6LMNA
SCHEMBL22393392 0.67 NOTUM (0.42) CDK4CCND1NOTUMHTR6LMNA
SCHEMBL1324646 0.66 CDK4 (0.50) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL5334126 0.66 CDK4 (0.50) CDK4CCND1NOTUMHTR6BIRC5
SCHEMBL29689846 0.66 CDK4 (0.50) CDK4CCND1NOTUMHTR6BIRC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632253-A1 Material for odour control BKI Holding Corporation (US) 2006-03-08 EP disclosed
WO-2006017441-A1 MATERIAL FOR ODOR CONTROL BKI HOLDING CORPORATION (US) 2006-02-16 WO disclosed
US-20060029567-A1 Material for odor control BKI HOLDING CORPORATION (US) 2006-02-09 US disclosed
US-4530714-A Capable of forming urea under use conditions ALLIED CORPORATION (US) 1985-07-23 US disclosed
EP-0119487-A1 Novel N-aliphatic and N,N-aliphatic phosphoric triamide urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1984-09-26 EP disclosed