SCHEMBL5823658

SCHEMBL5823658

CN(C)CC(O)COc1ccccc1.N#Cc1ccc(C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
HIF1A Q16665 2/20 0.50
PARP10 Q53GL7 2/20 0.49
PARP15 Q460N3 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
ABCB1 P08183 4/20 0.48
HTT P42858 1/20 0.44
CDK4 P11802 1/20 0.44
ABCB11 O95342 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
Benzamide SCHEMBL4775810 0.89 HIF1A (0.58) ALDH1A1HPGDHIF1APARP10ABCB1
SCHEMBL8971886 0.84 HIF1A (0.50) ALDH1A1HPGDHIF1APARP10ABCB1
SCHEMBL5821382 0.82 KMT2A (0.61) ALDH1A1HIF1APARP10ABCB1CDK4
SCHEMBL9448527 0.80 HIF1A (0.69) ALDH1A1HPGDHIF1APARP10PARP15
SCHEMBL258823 0.79 HIF1A (0.75) ALDH1A1HPGDHIF1AABCB1HTT
SCHEMBL6552266 0.77 ABCB1 (0.76) ALDH1A1HPGDHIF1AABCB1HTT
Chloromethane SCHEMBL1132204 0.77 ABCB1 (0.70) ALDH1A1HPGDHIF1AABCB1HTT
Hydrochloric Acid SCHEMBL22228312 0.76 ABCB1 (0.74) ALDH1A1HPGDHIF1AABCB1HTT
Chloromethane SCHEMBL8216574 0.75 ABCB1 (0.72) ALDH1A1HPGDHIF1AABCB1HTT
SCHEMBL9812016 0.74 ABCB1 (0.54) ALDH1A1PARP10ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091464-A1 IMPROVED TIME/ TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2006-08-31 WO disclosed