SCHEMBL1258663

SCHEMBL1258663

Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+]#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL30546604 0.99 CYP1A2 (0.50) POLBHPGDCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL1003649 0.99 CYP1A2 (0.50) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL11689863 0.96 MAPT (0.48) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL14364056 0.87 POLB (0.55) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL14588703 0.83 MEN1 (0.56) HPGDCYP1A2MAPTCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7553008 0.83 TP53 (0.51) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL13788773 0.79 MAPT (0.58) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL3445622 0.79 MAPT (0.62) POLBHPGDCYP1A2MAPTCYP2C9
SCHEMBL9362200 0.79 HDAC1 (0.68) MAPTHDAC1HDAC8HDAC6RAB9A
SCHEMBL20123332 0.77 POLB (0.53) POLBHPGDCYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9759733-B1 Mass produced, low cost, portable test kit for the detection and identification of narcotics VERITEQUE USA, INC. 2017-09-12 — — US claimed
US-20140057803-A1 IMMUNOASSAY REAGENTS AND METHODS OF USE THEREOF BIOCARE MEDICAL, LLC. (US) 2014-02-27 — — US claimed
EP-2459983-B1 REAGENT SYSTEM AND METHOD LEICA BIOSYSTEMS MELBOURNE PTY (AU) 2018-01-17 — — EP disclosed
US-9759733-B1 Mass produced, low cost, portable test kit for the detection and identification of narcotics VERITEQUE USA, INC. 2017-09-12 — — US disclosed
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 — — US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 — — US disclosed
US-9068989-B2 Reagent system and method LEICA BIOSYSTEMS MELBOURNE PTY LTD (AU) 2015-06-30 — — US disclosed
US-9068989-B2 Reagent system and method LEICA BIOSYSTEMS MELBOURNE PTY LTD (AU) 2015-06-30 — — US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 — — US disclosed
US-20120208287-A1 REAGENT SYSTEM AND METHOD LEICA BIOSYSTEMS MELBOURNE PTY LTD. (AU) 2012-08-16 — — US disclosed
US-20120208287-A1 REAGENT SYSTEM AND METHOD LEICA BIOSYSTEMS MELBOURNE PTY LTD. (AU) 2012-08-16 — — US disclosed
EP-2459983-A1 REAGENT SYSTEM AND METHOD Leica Biosystems Melbourne Pty Ltd (AU) 2012-06-06 — — EP disclosed
WO-2011011826-A1 REAGENT SYSTEM AND METHOD LEICA BIOSYSTEMS MELBOURNE PTY LTD (AU) 2011-02-03 — — WO disclosed
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