SCHEMBL28096157

SCHEMBL28096157

CCCCCN.O=C(O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PLA2G4A P47712 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
CES1 P23141 1/20 0.40
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DNM1 Q05193 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28749054 0.86 ALDH1A1 (0.49) ALDH1A1PLA2G4AL3MBTL1CES1CCNB2
Lysine SCHEMBL358312 0.80 GSR (0.56) ALDH1A1PLA2G4ACES1
SCHEMBL121301 0.79
Hydrochloric Acid SCHEMBL1128589 0.77
Water SCHEMBL28313135 0.77
SCHEMBL27734575 0.77
SCHEMBL5484928 0.77
Bromide SCHEMBL31321998 0.77
SCHEMBL27714126 0.77
Ammonia Solution, Strong SCHEMBL27970899 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105451556-B Plant is handled to resist the method for the fungi resistant to fungicide using carboxylic acid amides or thiocarboxamide derivative 拜尔农科股份公司 2017-11-14 CN claimed
CN-105451556-B Plant is handled to resist the method for the fungi resistant to fungicide using carboxylic acid amides or thiocarboxamide derivative 拜尔农科股份公司 2017-11-14 CN disclosed
CN-104244711-B Comprise the agricultural formulations of the copolymer of acrylic acid, poly-(aklylene glycol) (methyl) acrylate and (methyl) alkyl acrylate 巴斯夫欧洲公司 2016-08-24 CN disclosed