SCHEMBL5853872

SCHEMBL5853872

C[N+](C)(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.50
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
IDO1 P14902 2/20 0.38
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 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
SCHEMBL2489383 0.83 APOBEC3A (0.62) APOBEC3AAPOBEC3GACHE
SCHEMBL10485364 0.80 APOBEC3A (0.48) LMNACYP2A6APOBEC3AAPOBEC3GTSHR
Iodide SCHEMBL6373433 0.79 APOBEC3A (0.69) APOBEC3AAPOBEC3GACHE
Hydrochloric Acid SCHEMBL6368015 0.79 APOBEC3A (0.59) APOBEC3AAPOBEC3GACHEALDH1A1
1,4-Dichlorobenzene SCHEMBL28177733 0.75
1,4-Dichlorobenzene SCHEMBL11593739 0.75 LMNA (0.89) LMNACYP2A6IDO1MEN1KMT2A
SCHEMBL13567373 0.73 APOBEC3A (0.53) APOBEC3AAPOBEC3GACHEALDH1A1CYP3A4
1,4-Dichlorobenzene SCHEMBL8368501 0.71 LMNA (0.80) LMNACYP2A6IDO1MEN1KMT2A
1,4-Dichlorobenzene SCHEMBL27654439 0.71 LMNA (0.80) LMNACYP2A6IDO1MEN1KMT2A
SCHEMBL841700 0.71 ACHE (0.53) LMNACYP2A6APOBEC3AAPOBEC3GIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060114-B2 Dye mixtures of fiber-reactive azo dyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-06-13 US disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-20050223508-A1 Dye mixtures of fiber reactive azo dyes, production and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-10-13 US disclosed
US-20040148714-A1 Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-08-05 US disclosed
US-20040139567-A1 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-07-22 US disclosed
US-4500740-A Hydrolysis of water-insoluble organic halides UOP INC. (US) 1985-02-19 US disclosed