SCHEMBL3373463

SCHEMBL3373463

CCCCCOc1ccccc1S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
MAPT P10636 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA9 Q16790 9/20 0.47
CA12 O43570 4/20 0.47
CA7 P43166 3/20 0.47

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
SCHEMBL1334805 0.95 CYP2C9 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1649916 0.90 CA1 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL29469878 0.90 CA1 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
Pentane SCHEMBL28023035 0.83 CYP3A4 (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL3371631 0.83 CYP3A4 (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL1173472 0.83 CYP3A4 (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5579618 0.82 CA1 (0.60) LMNAADRA2AMAPTHTR2BCYP2C9
SCHEMBL29469832 0.82 CA1 (0.60) LMNAADRA2AMAPTHTR2BCYP2C9
SCHEMBL727321 0.82 LMNA (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL179760 0.82 LMNA (0.55) MEN1NR1I2LMNACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102215691-B Use of 5-fluorocytosine as a fungicide DOW AGROSCIENCES LLC 2015-02-04 CN disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed
EP-0869948-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AG (DE) 1998-10-14 EP disclosed
US-4617388-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-14 US disclosed
US-4576633-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 US disclosed
US-4556733-A Process for the preparation of 2-hydroxybenzenesulfonamide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-03 US disclosed
US-4515624-A PRE-AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-07 US disclosed
US-4425153-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS & CO. (US) 1984-01-10 US disclosed
US-4425153-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS & CO. (US) 1984-01-10 US disclosed