SCHEMBL4781079

SCHEMBL4781079

CC(C)(N)C(O)COc1ccccc1.NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.50
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAOB P27338 1/20 0.42

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 SCHEMBL5823348 0.87 PARP10 (0.53) TSHRMAPTLMNAPARP10TDP1
SCHEMBL5821382 0.81 KMT2A (0.61) MEN1KMT2ATSHRAPOBEC3AAPOBEC3G
SCHEMBL21000898 0.78 LMNA (0.58) TSHRLMNAADRB2ADRB1ADRB3
Diphenylether SCHEMBL6859636 0.76 TSHR (0.71) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL6408112 0.73 TSHR (0.48) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL6408106 0.73 TSHR (0.48) MEN1KMT2ATSHRMAPTSMN1; SMN2
Acetic Acid SCHEMBL28100034 0.71 TSHR (0.85) MEN1KMT2ATSHRMAPTSMN1; SMN2
Methyl Alcohol SCHEMBL27858599 0.71 TSHR (0.92) TSHRMAPTSMN1; SMN2LMNAGAA
Terephthalamide SCHEMBL27950892 0.71 TSHR (1.00) TSHRSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL260727 0.71 TSHR (1.00) TSHRSMN1; SMN2LMNAGAAALDH1A1

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
EP-1934561-B1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORP (US) 2018-11-07 EP disclosed
EP-1934561-A1 IMPROVED TIME/TEMPERATURE INDICATORS Sun Chemical Corporation (US) 2008-06-25 EP disclosed
WO-2007035365-A1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2007-03-29 WO disclosed